2-(4-fluorophenyl)-3-oxobutyronitrile

Modify Date: 2025-09-11 12:00:05

2-(4-fluorophenyl)-3-oxobutyronitrile Structure
2-(4-fluorophenyl)-3-oxobutyronitrile structure
 Common Name 2-(4-fluorophenyl)-3-oxobutyronitrile
CAS Number 447-03-0 Molecular Weight 177.17500
Density 1.175g/cm3 Boiling Point 237.7ºC at 760mmHg
Molecular Formula C10H8FNO Melting Point N/A
MSDS N/A Flash Point 97.5ºC

 Names

Name 2-(4-fluorophenyl)-3-oxobutyronitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.175g/cm3
Boiling Point 237.7ºC at 760mmHg
Molecular Formula C10H8FNO
Molecular Weight 177.17500
Flash Point 97.5ºC
Exact Mass 177.05900
PSA 40.86000
LogP 2.02188
Vapour Pressure 0.0442mmHg at 25°C
Index of Refraction 1.509
InChIKey BASLPLDKFVWJLO-UHFFFAOYSA-N
SMILES CC(=O)C(C#N)c1ccc(F)cc1

 Safety Information

HS Code 2926909090

 Synthetic Route

AM0210000 [RTECS] structure

AM0210000 [RTECS]

CAS#:459-22-3

ethyl acetate structure

ethyl acetate

CAS#:141-78-6

~46%

2-(4-fluorophenyl)-3-oxobutyronitrile Structure

2-(4-fluorophen...

CAS#:447-03-0

Literature: BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 85 ; US 20120277224 A1

 Precursor & DownStream

Precursor  2

DownStream  0

 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

2-(4-fluorophenyl)-3-oxobutanenitrile
2-(4-Fluorophenyl)-3-oxobutanenitrile
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