Diphenylphosphine

CAS: 829-85-6 · C12H11P

2D Structure

Loading 3D structure...

CAS Registry Number

829-85-6

SMILES

c1ccc(Pc2ccccc2)cc1

InChI Key

GPAYUJZHTULNBE-UHFFFAOYSA-N

InChI

InChI=1S/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	186.19 g/mol	CAS Common Chemistry
	186.19400000000002 g/mol	RDKit
	186.194 g/mol	RDKit
Density	1.07 g/cm³	CAS Common Chemistry
	1.070 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Diphenylphosphine	CAS Common Chemistry
Boiling Point	280 °C	CAS Common Chemistry
Canonical SMILES	C=1C=CC(=CC1)PC=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H	CAS Common Chemistry
InChI Key	InChIKey=GPAYUJZHTULNBE-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-14.5 °C	CAS Common Chemistry
Name	Diphenylphosphine	CAS Common Chemistry
Heavy Atom Count	13	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.3159	RDKit
Molar Refractivity	60.467000000000034 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	186.059836982 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 = 186.19 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.

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