Phosphoryl chloride
Properties
- Molecular formula
- POCl3
- Molar mass
- 153.32 g/mol
- Exact mass
- 151.8752 Da
- Density
- 1.645 g/mL (at 25 °C)
- Melting point
- 1.25 °C
- Boiling point
- 105.8 °C
- logP
- 2.81Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 015-009-00-5), via PubChem.
Precautionary statements
P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P403+P233, P405, P501
Identifiers
CAS number
10025-87-3SMILES
O=P(Cl)(Cl)ClInChIKey
XHXFXVLFKHQFAL-UHFFFAOYSA-NInChI
InChI=1S/Cl3OP/c1-5(2,3)4Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ .¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ .[M + H]+
[M + H]+ Calcd for Cl3HOP 152.8825[M + Na]+
[M + Na]+ Calcd for Cl3NaOP 174.8645Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Phosphoric trichloride
- Phosphorus oxychloride
- Phosphorus oxytrichloride
- Phosphorus chloride oxide (POCl3)
- Trichlorophosphine oxide
- Phosphoryl trichloride
- Phosphorus oxide trichloride
- Phosphoroxychloride
- Trichlorophosphorus oxide
- Phosphoric chloride
- Phosphorus trichloride oxide
- Phosphoroxytrichloride
- Phosphorus chloride oxide (PCl3O)
- Phosphorus monoxide trichloride
- Phosphonyl trichloride
- Phosphorous chloride oxide (POCl3)
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 10025-87-3. Each row opens the sheet with its composition and PDF.
Work with Phosphoryl chloride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.