Phenylphosphine

CAS: 638-21-1 · C6H7P

2D Structure

Loading 3D structure...

CAS Registry Number

638-21-1

SMILES

Pc1ccccc1

InChI Key

RPGWZZNNEUHDAQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	110.10 g/mol	CAS Common Chemistry
	110.09599999999998 g/mol	RDKit
	110.096 g/mol	RDKit
Density	1.00 g/cm³	CAS Common Chemistry
	1.00 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Phenylphosphine	CAS Common Chemistry
Boiling Point	160.5 °C	CAS Common Chemistry
Canonical SMILES	PC=1C=CC=CC1	CAS Common Chemistry
InChI	InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2	CAS Common Chemistry
InChI Key	InChIKey=RPGWZZNNEUHDAQ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	148-151 °C	CAS Common Chemistry
Name	Phenylphosphine	CAS Common Chemistry
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	1.1869999999999998	RDKit
	1.187	RDKit
Molar Refractivity	35.78600000000001 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	110.028536854 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 = 110.10 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.

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