Dimethylphenylphosphine

CAS: 672-66-2 · C8H11P

2D Structure

Loading 3D structure...

CAS Registry Number

672-66-2

SMILES

CP(C)c1ccccc1

InChI Key

HASCQPSFPAKVEK-UHFFFAOYSA-N

InChI

InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	138.15 g/mol	CAS Common Chemistry
	138.14999999999998 g/mol	RDKit
Density	0.97 g/cm³	CAS Common Chemistry
	0.967 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Dimethylphenylphosphine	CAS Common Chemistry
Boiling Point	74-75 °C	CAS Common Chemistry
Canonical SMILES	C=1C=CC(=CC1)P(C)C	CAS Common Chemistry
InChI	InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=HASCQPSFPAKVEK-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	102 °C	CAS Common Chemistry
Name	Dimethylphenylphosphine	CAS Common Chemistry
Heavy Atom Count	9	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.0534	RDKit
Molar Refractivity	44.84400000000003 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.25	RDKit
Exact Mass	138.059836982 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 = 138.15 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.

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