Vinyl chloride
Athanor · official
C2H3Cl · 62.5 g/mol
IUPAC name: chloroethene
Also called chloroethene, PVC monomer
Names and identifiers
- IUPAC name
- chloroethene
- Synonyms
- chloroethene, PVC monomer, Chloroethene
+ 37 more
Chloroethylene, Ethene, chloro-, Monochloroethylene, Monochloroethene, Vinylchloride, Ethylene monochloride, Chlorethylene, Vinylchlorid, Monovinyl chloride, Vinyl chloride monomer, Chlorethene, Chlorure de vinyle, Ethylene, chloro-, Trovidur, Vinyl C monomer, Vinyl chlorine, Winylu chlorek, Cloruro di vinile, Vinyle(chlorure de), RCRA waste number U043, Vinile (cloruro di), DTXSID8021434, 1-Chloroethylene, WD06X94M2D, CHEBI:28509, F-1140, Chloride, Vinyl, Choroethylene, Vinyl chloride monomer (VCM), RefChem:124, DTXCID401434, 200-831-0, VC, cloroetileno, PVC RESIN, C2H3Cl, cloruro de vinilo
- Molecular formula
- C2H3Cl
- Empirical formula
- C2H3Cl
- Molecular weight
- 62.5 g/mol
- Exact mass
- 61.99233
- CAS number
- 75-01-4
- PubChem CID
- 6338
- Canonical SMILES
- C=CCl
- Isomeric SMILES
- C=CCl
- InChI
- InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
- InChIKey
- BZHJMEDXRYGGRV-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Colorless gas or liquid (below 77 degrees F) [Note: Shipped as a liquefied compressed gas][6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Vinyl chloride appears as a colorless gas with a sweet odor. Easily ignited. Shipped as a liquefied gas under own vapor pressure. Contact with the unconfined liquid may cause frostbite by evaporative cooling. Leaks may be liquid or vapor. Vapors are heavier than air. May asphyxiate by the displacement of air. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. Suspected carcinogen. Used to make plastics, adhesives, and other chemicals. [1] CAMEO Chemicals – Gas Vapor; Liquid [2] EPA Chemical Data Reporting (CDR) – COLOURLESS COMPRESSED LIQUEFIED GAS WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs) – Colorless gas or liquid (below 7 °F) with a pleasant odor at high concentrations. [4] Occupational Safety and Health Administration (OSHA) – Colorless gas or liquid (below 7 °F) with a pleasant odor at high concentrations. [Note: Shipped as a liquefied compressed gas.] [5] The National Institute for Occupational Safety and Health (NIOSH) –shown Colorless gas or liquid (below 77 degrees F) [Note: Shipped as a liquefied compressed gas] [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg - Odor
- Ethereal odor[6]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source –shown Ethereal odor [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1416 – Pleasant odor at high concentrations [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg - Melting point
- -153.84 °C[7]
5 values
3 of 5 sources agree on it (most common value).
Value As written Source −154 °C -245 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. −154 °C -154 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) −160 °C -256 °F [4] Occupational Safety and Health Administration (OSHA) −153.8 °Cshown -153.84 °C [7] PAC Chemical Database, U.S. Department of Energy −160 °C -256 °F [5] The National Institute for Occupational Safety and Health (NIOSH) - Boiling point
- -13.8 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source −14 °C 7 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. −13 °C -13 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) −14 °C 7 °F [4] Occupational Safety and Health Administration (OSHA) −13.8 °Cshown -13.8 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy −14 °C 7 °F [5] The National Institute for Occupational Safety and Health (NIOSH) - Density
- 0.9106 @ 20°C[7]
5 values
2 of 5 sources agree on it (most common value).
Value As written Source – 0.969 at 8.6 °F (USCG, 1999) - Less dense than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. – Relative density (water = 1): 0.9 (liquid) [3] ILO-WHO International Chemical Safety Cards (ICSCs) – 0.969 at 8.6 °F [4] Occupational Safety and Health Administration (OSHA) –shown 0.9106 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy – 2.21(relative gas density) [5] The National Institute for Occupational Safety and Health (NIOSH) 1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
- Solubility in water
- Solubility in water, g/l at 25 °C: 1.1 (poor)[3]
6 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source – Slightly soluble (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – In water, 8.8X10+3 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Delassus PT, Schmidt DD; J Chem Eng Data 26: 274-6 (1981) – In water, 2700 mg/L [6] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 1325 – Soluble in hydrocarbons, oil, chlorinated solvents, and most common organic solvents. [6] Hazardous Substances Data Bank (HSDB)cites Cowfer JA, Gorensek MB; Vinyl chloride. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: 19 May 2006 –shown Solubility in water, g/l at 25 °C: 1.1 (poor) [3] ILO-WHO International Chemical Safety Cards (ICSCs) – (77 °F): 0.1% [5] The National Institute for Occupational Safety and Health (NIOSH) - log P
- log Kow = 1.46[6]
2 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source –shown log Kow = 1.46 [6] Hazardous Substances Data Bank (HSDB)cites Sakuratani Y et al; QSAR Comb Sci 26: 109-116 (2007) – 1.6 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Vapor pressure
- 2980 mmHg at 25 °C[6]
3 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source 2980 mmHgshown 2980 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989. 2500 mmHg Vapor pressure, kPa at 20 °C: 334 [3] ILO-WHO International Chemical Safety Cards (ICSCs) 750 mmHg 750 [mm Hg] @-14.1 °C [7] PAC Chemical Database, U.S. Department of Energy 3 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
- Flash point
- -79 °C (-110 °F, NTP 1992)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source −79 °Cshown -110 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. −78 °C -78 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs) −79 °C -110 °F [4] Occupational Safety and Health Administration (OSHA) 1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
- Autoignition temperature
- 472 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source 472 °C 882 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. 472 °C 882 °F (472 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-115 472 °Cshown 472 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Viscosity
- 0.01072 cP at 101.325 kPa, 20 °C (gas)[6]
2 values
Only one source reports it.
Value As written Source –shown 0.01072 cP at 101.325 kPa, 20 °C (gas) [6] Hazardous Substances Data Bank (HSDB)cites Braker W, Mossman A; Matheson Gas Data Book 6th ed, p.695 (1980) – 0.280 cP at -20 °C (liquid) [6] Hazardous Substances Data Bank (HSDB)cites Braker W, Mossman A; Matheson Gas Data Book 6th ed, p.695 (1980)
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 3
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 0
- Rotatable bonds
- 0
- TPSA (Ų)
- 0
- Formal charge
- 0
- XLogP3
- 1.5 PubChem
- Complexity
- 10 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C38.44%
- H4.84%
- Cl56.73%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 1.37 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -1.09 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.71 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 62.5
- log P ≤ 5 (Crippen): 1.37
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 0
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Harmonized EU classification (CLP Annex VI). Source [8].
Flammable
Health hazard
- H220Extremely flammable gas
- H350May cause cancer
Precautionary statements: P203, P210, P222, P280, P318, P377, P381, P403, P405, P501
View all classifications (3)
- [8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH220, H350
- [9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.3% (2 of 785) of reports.
- [9] European Chemicals Agency (ECHA) · 785 reports · DangerH220, H280, H341, H350, H412
Exposure limits
First aid
- Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Caution: Exposure of skin to compressed gases may result in freezing of the skin. Treatment for frostbite may be necessary.[1]
- General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[10]
- (General first aid procedures) Eye: Frostbite - If eye tissue is frozen, seek medical attention immediately; if tissue is not frozen, immediately and thoroughly flush the eyes with large amounts of water for at least 15 minutes, occasionally lifting the lower and upper eyelids. If irritation, pain, swelling, lacrimation, or photophobia persist, get medical attention as soon as possible. Skin: Frostbite - Compressed gases may create low temperatures when they expand rapidly. Leaks and uses that allow rapid expansion may cause a frostbite hazard.[5]
- Fresh air, rest. Refer immediately for medical attention.[3]
Storage
- Fireproof. Separated from : See Chemical Dangers. Cool. Store only if stabilized. Well closed. Keep in a well-ventilated room. Separated from oxidizing materials.[3]
- Vinyl chloride should be stored in cool well-ventilated areas, out of direct sunlight. It is usually stored under pressure and handled as a liquid. It must be kept away from sparks, flames and other ignition sources.[6]
- Store in cool, dry, well-ventilated location. Separate from oxidizing materials. (vinyl chloride, inhibited)[6]
- Store in a secure poison location. Prior to working with this chemical you should be trained on its proper handling and storage. Before entering confined space where this chemical may be present, check to make sure that an explosive concentration does not exist. Vinyl chloride must be stored to avoid contact with oxidizers (such as perchlorates, peroxides, permanganates, chlorates, and nitrates), since violent reactions occur. Sources of ignition, such as smoking and open flames, are prohibited where vinyl chloride is handled, used, or stored.[6]
Incompatibilities
- On treatment with strong alkalis at high temperatures it loses hydrogen chloride.[6]
- Can react vigorously with oxidizing materials. Can explode on contact with oxides of nitrogen.[6]
- Copper, oxidizers, aluminum, peroxides, iron, steel. [Note: Polymerizes in air, sunlight, or heat unless stabilized by inhibitors such as phenol. Attacks iron and steel in presence of moisture.][6]
- Incompatibilities: Copper, oxidizers, aluminum, peroxides, iron, steel. Polymerizes in air, sunlight, heat, and on contact with a catalyst, strong oxidizers, and metals, such as aluminum and copper, unless stabilized by inhibitors, such as phenol. Attacks iron and steel in the presence of moisture.[6]
Safety data sheets on the supplier’s page: Angene Chemical, Sigma-Aldrich, LGC Standards.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRNMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (JEOL · 300 MHz · CCl4)
- 13C NMRHazardous Substances Data Bank (HSDB) · SpectraBase
- GC-MSMassBank of North America (MoNA) (JEOL JMS-01-SG · EI-B · positive) · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · SpectraBase
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (JEOL JMS-01-SG · EI-B · POSITIVE)
- IRHazardous Substances Data Bank (HSDB)
- Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
- RamanSpectraBase
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
- [5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
- [6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
- [11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [14]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [15]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [16]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.
