CAS 7391-28-8|3-(4-Methylphenyl)-3-oxopropanenitrile

Introduction：Basic information about CAS 7391-28-8|3-(4-Methylphenyl)-3-oxopropanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles1
6. Synonyms

Common Name	3-(4-Methylphenyl)-3-oxopropanenitrile
CAS Number	7391-28-8	Molecular Weight	159.185
Density	1.1±0.1 g/cm3	Boiling Point	318.2±25.0 °C at 760 mmHg
Molecular Formula	C₁₀H₉NO	Melting Point	105-108 °C(lit.)
MSDS	ChineseUSA	Flash Point	146.2±23.2 °C

Names

Name	4-methylbenzoylacetonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	318.2±25.0 °C at 760 mmHg
Melting Point	105-108 °C(lit.)
Molecular Formula	C₁₀H₉NO
Molecular Weight	159.185
Flash Point	146.2±23.2 °C
Exact Mass	159.068420
PSA	40.86000
LogP	1.43
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.533
InChIKey	AIECDYDQPCANJK-UHFFFAOYSA-N
SMILES	Cc1ccc(C(=O)CC#N)cc1

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S26-S36/37/39
RIDADR	3276
WGK Germany	3
Packaging Group	III
Hazard Class	6.1
HS Code	2926909090

Customs

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles1

Reaction Mechanism of the C:N Triple Bond Cleavage of β-Ketonitriles on a Molybdenum (0) Center1 Tanabe Y, et al.

J. Am. Chem. Soc. 122(8) , 1690-1699, (2000)

Synonyms

MFCD00067895

3-(4-Methylphenyl)-3-oxopropanenitrile

Benzenepropanenitrile, 4-methyl-β-oxo-

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