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Chloroacetic acid

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C2H3ClO2 · 94.5 g/mol

IUPAC name: 2-chloroacetic acid

Also called monochloroacetic acid, MCA

Open in Athanor
The structure of Chloroacetic acid
Drawn from its SMILES with RDKit140
CorrosiveAcute toxicityEnvironmental hazardDangerToxic if swallowed · Toxic in contact with skin · Causes severe skin burns and eye damage · Toxic if inhaled · Very toxic to aquatic life

Names and identifiers

IUPAC name
2-chloroacetic acid
Synonyms
monochloroacetic acid, MCA, Monochloroacetic acid
+ 37 more

Chloracetic acid, 2-chloroacetic acid, Chloroethanoic acid, Acetic acid, chloro-, Acide chloracetique, Monochloroethanoic acid, Monochloracetic acid, Monochloorazijnzuur, Monochloressigsaeure, Acidomonocloroacetico, Acide monochloracetique, alpha-Chloroacetic acid, Acide chloroacetique, Kyselina chloroctova, 2-chloro-ethanoic acid, NCI-C60231, DTXSID4020901, NSC-142, 5GD84Y125G, DTXCID20901, CHEBI:27869, RefChem:5670, 201-178-4, Chloroacetic acid, solid, Acetic acid, 2-chloro-, Chloroacetic, 2-chloro-acetic acid, Chloroacetic acid [BSI:ISO], .alpha.-Chloroacetic acid, Monochloorazijnzuur [Dutch], Acide chloracetique [French], Kyselina chloroctova [Czech], Monochloressigsaeure [German], Acide chloroacetique [French], Acidomonocloroacetico [Italian], Acide monochloracetique [French], Chloroacetic acid, molten

Molecular formula
C2H3ClO2
Empirical formula
C2H3ClO2
Molecular weight
94.5 g/mol
Exact mass
93.98216
CAS number
79-11-8
PubChem CID
300
Canonical SMILES
C(C(=O)O)Cl
Isomeric SMILES
C(C(=O)O)Cl
InChI
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity
Appearance
Colorless to light-brownish crystals[5]
7 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Chloroacetic acid, solid is a colorless to light-brown crystalline material. It is soluble in water and sinks in water. Combustible. It is transported as a molten liquid and therefore can cause thermal burns. It is toxic by ingestion, skin absorption and inhalation of dust. It is corrosive to metals and tissue.[1] CAMEO Chemicals
–Chloroacetic acid, solution is a colorless solution of the white crystalline solid. The acid concentration can be up to 80%. It is toxic by inhalation, ingestion and skin contact. It is corrosive to metals and tissue. It is used as an herbicide, preservative and bacteriostat.[1] CAMEO Chemicals
–Large Crystals; CBI; Dry Powder; Other Solid; Liquid[2] EPA Chemical Data Reporting (CDR)
–COLOURLESS HYGROSCOPIC CRYSTALS WITH PUNGENT ODOUR.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–Colorless solution of the white crystalline solid.[4] Occupational Safety and Health Administration (OSHA)
–shownColorless to light-brownish crystals[5] 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. 307
–Colorless, hygroscopic, crystalline solid, which occurs in monoclinically prismatic structures ...[5] Hazardous Substances Data Bank (HSDB)cites Koenig G et al; Chloroacetic Acids. Ullmann's Encyclopedia of Industrial Chemistry. (1999-2019). New York, NY: John Wiley & Sons. Online Posting Date: 15 Oct 2012.
Odor
Strong vinegar-like odor[5]
Melting point
63 °C (145 °F, EPA 1998)[1]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
63 °Cshown145 °F (EPA, 1998)[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
63 °C63 °C[6] PAC Chemical Database, U.S. Department of Energy

1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.

Boiling point
189.3 °C @760 [mmHg][6]
3 values

3 of 3 sources agree on it (most common value).

ValueAs writtenSource
189 °C372 °F at 760 mmHg (EPA, 1998)[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
189 °C189 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
189.3 °Cshown189.3 °C @760 [mm Hg][6] PAC Chemical Database, U.S. Department of Energy
Density
Density: 1.3703 at 65 °C/4 °C (liquid)[5]
7 values

Only one source reports it.

ValueAs writtenSource
–1.4043 at 104 °F (EPA, 1998) - Denser than water[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
–1.328 (USCG, 1999) - Denser 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.
–1.58 at 20 °C/20 °C (solid)[5] Hazardous Substances Data Bank (HSDB)cites Koenig G et al; Chloroacetic Acids. Ullmann's Encyclopedia of Industrial Chemistry. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: Online Posting Date: 15 Oct 2012
1.3703 g/mLshownDensity: 1.3703 at 65 °C/4 °C (liquid)[5] Hazardous Substances Data Bank (HSDB)cites Koenig G et al; Chloroacetic Acids. Ullmann's Encyclopedia of Industrial Chemistry. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: Online Posting Date: 15 Oct 2012
–1.58 at 20 °C/20 °C (solid)[5] Hazardous Substances Data Bank (HSDB)cites Koenig G et al; Chloroacetic Acids. Ullmann's Encyclopedia of Industrial Chemistry. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: Online Posting Date: 15 Oct 2012
–1.328[4] Occupational Safety and Health Administration (OSHA)
–1.4043 @ 40°C[6] PAC Chemical Database, U.S. Department of Energy

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 at 20 °C: very good[3]
4 values

From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.

ValueAs writtenSource
–greater than or equal to 100 mg/mL at 68 °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.
–In water, 8.58X10+5 mg/L at 25 °C[5] Hazardous Substances Data Bank (HSDB)cites Seidell A; Solubilities of Organic Compounds. New York, NY: D. Van Norstrand Co. Inc. p. 87 (1941
–... good solubility in methanol, acetone, diethyl ether, and ethanol, but is only sparingly soluble in hydrocarbons and chlorinated hydrocarbons.[5] Hazardous Substances Data Bank (HSDB)cites Koenig G et al; Chloroacetic Acids. Ullmann's Encyclopedia of Industrial Chemistry. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: Online Posting Date: 15 Oct 2012
–shownSolubility in water at 20 °C: very good[3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P
0.34[3]
2 values

Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.

ValueAs writtenSource
–log Kow = 0.22[5] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 4
–shown0.34[3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa
pKa = 2.87[5]
Vapor pressure
6.5 × 10⁻² mmHg (8.68 × 10⁻³ kPa) at 25 °C[5]
3 values

Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.

ValueAs writtenSource
1 mmHg1 mmHg at 109.4 °F (EPA, 1998)[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
0.065 mmHgshown6.5X10-2 mm Hg (8.68X10-3 kPa) at 25 °C[5] Hazardous Substances Data Bank (HSDB)cites Morris ED, Bost JC; Acetic Acid, Halogenated Derivatives. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: 19 July 2002.
7.5 mmHg7.5 [mm Hg] @78.400000000000006 °C[6] PAC Chemical Database, U.S. Department of Energy

1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.

Flash point
126 °C c.c.[3]
5 values

4 of 4 sources agree on it (most common value).

ValueAs writtenSource
150 °C302 °F (EPA, 1998)[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
126 °C259 °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.
126 °C259 °F (126 °C) (Closed cup)[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-29
126 °Cshown126 °C c.c.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
126 °C259 °F[4] Occupational Safety and Health Administration (OSHA)
Autoignition temperature
470 °C[3]
2 values

Only one source reports it.

ValueAs writtenSource
> 500 °C>932 °F (>500 °C)[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-29
470 °Cshown470 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)

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
5
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.5
H-bond donors
1
H-bond acceptors
1 computed here · PubChem 2
Rotatable bonds
1
TPSA (Ų)
37.3
Formal charge
0
XLogP3
0.2 PubChem
Complexity
42 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

  • C25.42%
  • H3.20%
  • Cl37.52%
  • O33.86%

Isotope pattern

100%93.9822.3%94.98632%95.97996.98397.984

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
0.31 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.56 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.26 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 94.5
  • log P ≤ 5 (Crippen): 0.31
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 1

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 [7].

  • Corrosive
  • Acute toxicity
  • Environmental hazard
140
NFPA 704[5]
  • H301Toxic if swallowed
  • H311Toxic in contact with skin
  • H314Causes severe skin burns and eye damage
  • H331Toxic if inhaled
  • H400Very toxic to aquatic life

Precautionary statements: P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P403+P233, P405, P501

View all classifications (3)
  • [7] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH301, H311, H314, H331, H400
  • [8] European Chemicals Agency (ECHA) · 1,299 reports · DangerH301+H311+H331, H311+H331, H311, H314, H318, H330, H331, H335, H400, H410
  • [5] Hazardous Substances Data Bank (HSDB) · DangerH301, H311, H314, H318, H330, H335, H400

Exposure limits

  • TLV: 0.5 ppm as TWA; (skin); A4 (not classifiable as a human carcinogen).[3]
  • TLV-TWA (Time Weighted Average): 0.5 ppm (inhalable fraction and vapor) [2005][4]
  • MAK (Maximale Arbeitsplatz Konzentration): 2.0 mg/m[3]

First aid

  • Warning: Effects may be delayed. Caution is advised. Chloroacetic acid is extremely corrosive. Signs and Symptoms of Acute Chloroacetic Acid Exposure: Signs and symptoms of acute ingestion of chloroacetic acid may be severe and include salivation, intense thirst, difficulty in swallowing, chills, and shock. Oral, esophageal, and stomach burns are common and often associated with severe pain. Vomitus generally has a coffee-ground appearance. The potential for circulatory collapse is high following ingestion of chloroacetic acid.[1]
  • Get medical attention for all exposures to this compound. Inhalation: Remove victim to fresh air. Eyes: Flush with running water for 15 min. Skin: Flush with water. Ingestion: Give large amount of water to dilute the acid. (USCG, 1999)[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…[9]
  • 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…[9]

Storage

  • Separated from incompatible materials and food and feedstuffs. See Chemical Dangers. Dry. Store only in original container. Well closed. Ventilation along the floor. Store in an area without drain or sewer access.[3]
  • Keep container tightly closed in a dry and well-ventilated place.[5]
  • Prior to working with chloroacetic acid you should be trained on its proper handling and storage. Store in tightly closed containers in a cool, well-ventilated area away from metal, combustibles, strong oxidizers, strong bases, and reducing agents. Where possible, automatically pump liquid from drums or other storage containers to process containers. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when opening and closing containers of this chemical.[5]
  • Store in a cool, dry, well-ventilated location. Separate from alkalies, alcohols, oxidizing materials, reducing agents, and metals.[5]

Incompatibilities

  • Incompatible materials: Strong oxidizing agents, strong bases, strong reducing agents.[5]
  • The solution in water is a strong acid. Contact with strong oxidizers, strong bases, and strong reducing agents can cause violent reactions.[5]
  • Corrosive to metals. Reacts with a broad range of materials.[5]

Safety data sheets on the supplier’s page: Sigma-Aldrich, MP Biomedicals, Halochem.

Always read the supplier’s safety data sheet before working with it.

Spectra

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. [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  3. [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. [4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
  5. [5]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  6. [6]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  7. [7]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
  8. [8]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  9. [9]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
  10. [10]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  11. [11]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  12. [12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  13. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  14. ·Literature on PubChem

Data last updated 2026-10-14.