Phosphorus Trichloride

CAS: 7719-12-2 · Cl3P

2D Structure

Loading 3D structure...

CAS Registry Number

7719-12-2

SMILES

ClP(Cl)Cl

InChI Key

FAIAAWCVCHQXDN-UHFFFAOYSA-N

InChI

InChI=1S/Cl3P/c1-4(2)3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	137.33 g/mol	CAS Common Chemistry
	137.33300000000003 g/mol	RDKit
	137.333 g/mol	RDKit
	137.324 g/mol	chempirical lib
Density	1.57 g/cm³	CAS Common Chemistry
	1.574 g/cm3 @ 21 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Phosphorus_trichloride	CAS Common Chemistry
Boiling Point	76 °C	CAS Common Chemistry
Canonical SMILES	ClP(Cl)Cl	CAS Common Chemistry
InChI	InChI=1S/Cl3P/c1-4(2)3	CAS Common Chemistry
InChI Key	InChIKey=FAIAAWCVCHQXDN-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-112 °C	CAS Common Chemistry
Name	Phosphorus trichloride	CAS Common Chemistry
Heavy Atom Count	4	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.9296999999999995	RDKit
	2.9297	RDKit
Molar Refractivity	24.479 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	135.88031967 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 137.33 g/mol; density = 1.570 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)