3-(3,4-Dichlorophenyl)-3-oxopropanenitrile

Modify Date: 2025-09-09 11:54:14

3-(3,4-Dichlorophenyl)-3-oxopropanenitrile Structure
3-(3,4-Dichlorophenyl)-3-oxopropanenitrile structure
Common Name 3-(3,4-Dichlorophenyl)-3-oxopropanenitrile
CAS Number 4640-68-0 Molecular Weight 214.048
Density 1.4±0.1 g/cm3 Boiling Point 398.4±37.0 °C at 760 mmHg
Molecular Formula C9H5Cl2NO Melting Point 114 °C
MSDS N/A Flash Point 194.7±26.5 °C

 Names

Name 3,4-Dichlorobenzoylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 398.4±37.0 °C at 760 mmHg
Melting Point 114 °C
Molecular Formula C9H5Cl2NO
Molecular Weight 214.048
Flash Point 194.7±26.5 °C
Exact Mass 212.974823
PSA 40.86000
LogP 2.38
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.568
InChIKey HUEULXLHYYYTTP-UHFFFAOYSA-N
SMILES N#CCC(=O)c1ccc(Cl)c(Cl)c1

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2926909090

 Precursor & DownStream

Precursor  0

DownStream  2

 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%

 Synonyms

Benzenepropanenitrile, 3,4-dichloro-β-oxo-
MFCD00067919
3-(3,4-Dichlorophenyl)-3-oxopropanenitrile
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