Triphenylphosphine

Athanor · official

C₁₈H₁₅P · 262.3 g/mol

IUPAC name: triphenylphosphane

Also called PPh3, TPP, Mitsunobu

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHarmful if swallowed · May cause an allergic skin reaction · Causes serious eye damage · Causes damage to organs through prolonged or repeated exposure · May causes damage to organs through prolonged or repeated exposure · May cause long lasting harmful effects to aquatic life

Names and identifiers

IUPAC name: triphenylphosphane
Synonyms: PPh3, TPP, Mitsunobu
+ 35 more
Triphenylphosphane, Triphenyl phosphine, Phosphine, triphenyl-, Triphenylphosphorus, Triphenylphosphide, Trifenylfosfin, PP 360, DTXSID5026251, NSC-10, 26D26OA393, NSC-215203, DTXCID906251, CHEBI:183318, RefChem:6333, 210-036-0, Triphenylphosphine resin, triphenyl-phosphane, triphenylphosphin, Phosphorus triphenyl, NSC 10, NSC 215203, Ph3P, MFCD20489348, Phosphorustriphenyl, MFCD00003043, triphenylphoshine, WLN: RPR&R, Trifenylfosfin [Czech], C18H15P, TRIPHENYL PHOSPHOROUS, CAS-603-35-0, CCRIS 4889, HSDB 4266, Triphenyl phosphine resin, EINECS 210-036-0
Molecular formula: C₁₈H₁₅P
Empirical formula: C₁₈H₁₅P
Molecular weight: 262.3 g/mol
Exact mass: 262.09114
CAS number: 603-35-0
PubChem CID: 11776
Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey: RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Triphenyl phosphine appears as white crystals. (NTP, 1992)[1]
4 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source
–shown Triphenyl phosphine appears as white crystals. (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.
– Liquid; Dry Powder; Liquid; CBI; Large Crystals; Other Solid; Dry Powder [2] EPA Chemical Data Reporting (CDR)
– ODOURLESS WHITE CRYSTALS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– WHITE CRYSTALLINE SOLID [4] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 891
Melting point: 80 °C (176 °F, NTP 1992)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
80 °Cshown 176 °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.
80 °C 80 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
79 °C 79 °C [5] PAC Chemical Database, U.S. Department of Energy
Boiling point: 377 °C[3]
2 values
Only one source reports it.
Value As written Source
> 360 °C greater than 680 °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.
377 °Cshown 377 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Density: 1.194 @25 °C[5]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
– 1.194 at 77 °F (NTP, 1992) - Denser than water [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.
– 1.1 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown 1.194 @25 °C [5] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water, mg/l at 25 °C: 0.09 (very poor)[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Insoluble (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.
– SOL IN CARBON TETRACHLORIDE [4] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 891
–shown Solubility in water, mg/l at 25 °C: 0.09 (very poor) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: 5.69[3]
Vapor pressure: Vapor pressure, Pa at 50 °C: 0.017[3]
Flash point: 180 °C OC.[4]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
180 °C 356 °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.
180 °Cshown 180 °C OC. [4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association. Fire Protection Guide on Hazardous Materials. 7th ed. Boston, Mass.: National Fire Protection Association, 1978., p. 325M-184
182 °C 182 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: 425 °C[3]

Value	As written	Source
–shown	Triphenyl phosphine appears as white crystals. (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.
–	Liquid; Dry Powder; Liquid; CBI; Large Crystals; Other Solid; Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	ODOURLESS WHITE CRYSTALS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	WHITE CRYSTALLINE SOLID	[4] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 891

Value	As written	Source
80 °Cshown	176 °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.
80 °C	80 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
79 °C	79 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
> 360 °C	greater than 680 °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.
377 °Cshown	377 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	1.194 at 77 °F (NTP, 1992) - Denser than water	[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.
–	1.1 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	1.194 @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Insoluble (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.
–	SOL IN CARBON TETRACHLORIDE	[4] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 891
–shown	Solubility in water, mg/l at 25 °C: 0.09 (very poor)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
180 °C	356 °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.
180 °Cshown	180 °C OC.	[4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association. Fire Protection Guide on Hazardous Materials. 7th ed. Boston, Mass.: National Fire Protection Association, 1978., p. 325M-184
182 °C	182 °C c.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: 19
Rings: 3
Aromatic rings: 3
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 3
TPSA (Å²): 0
Formal charge: 0
XLogP3: 4.6 PubChem
Complexity: 202 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C3 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C82.43%
H5.76%
P11.81%

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: 3.44 Crippen (Wildman and Crippen 1999)
log S (water solubility): -4.14 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.65 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 262.29
log P ≤ 5 (Crippen): 3.44
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

Most widely reported: 1,290 company reports to ECHA. Source [6].

Corrosive
Harmful or irritant
Health hazard

NFPA 704[4]

H302Harmful if swallowed (97.1% of reports)
H317May cause an allergic skin reaction (99.4% of reports)
H318Causes serious eye damage (12.8% of reports)
H372Causes damage to organs through prolonged or repeated exposure (23.1% of reports)
H373May causes damage to organs through prolonged or repeated exposure (21.1% of reports)
H413May cause long lasting harmful effects to aquatic life (64.1% of reports)

Precautionary statements: P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, P501

View all classifications (2)

[6] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.5% (6 of 1290) of reports.
[6] European Chemicals Agency (ECHA) · 1,290 reports · DangerH302, H317, H318, H372, H373, H413

Exposure limits

MAK (Maximale Arbeitsplatz Konzentration): (inhalable fraction): 5 mg/m[3]

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: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
Fresh air, rest. Refer for medical attention.[3]
Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .[3]
Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer for medical attention.[3]

Storage

Separated from oxidants and acids. Keep in a well-ventilated room.[3]

Safety data sheets on the supplier’s page: RR Scientific, J&H Chemical Co.,ltd, CATO Research Chemicals Inc..

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

Spectra

NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
1H NMRSpectraBase (Varian A-60)
13C NMRSpectraBase
31P NMRSpectraBase
GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · SpectraBase (CH5)
MS-MSNIST Mass Spectrometry Data Center (IT/ion trap)
Other MSHazardous Substances Data Bank (HSDB)
UVHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (Bruker IFS 85 · KBr-Pellet)
ATR-IRSpectraBase (Bruker Tensor 27 FT-IR · ATR-Neat (DuraSamplIR II))
Vapor Phase IRSpectraBase
RamanSpectraBase (Thermo Nicolet FT-Raman 960 · FT-Raman)

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[9]NIST Mass Spectrometry Data Center · 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.