3-(3,5-Difluorophenyl)-3-oxopropanenitrile

Modify Date: 2024-06-06 16:26:04

3-(3,5-Difluorophenyl)-3-oxopropanenitrile Structure
3-(3,5-Difluorophenyl)-3-oxopropanenitrile structure
Common Name 3-(3,5-Difluorophenyl)-3-oxopropanenitrile
CAS Number 842140-51-6 Molecular Weight 181.139
Density 1.3±0.1 g/cm3 Boiling Point 303.7±32.0 °C at 760 mmHg
Molecular Formula C9H5F2NO Melting Point 102-105ºC
MSDS N/A Flash Point 137.5±25.1 °C

 Names

Name 3-(3,5-difluorophenyl)-3-oxopropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 303.7±32.0 °C at 760 mmHg
Melting Point 102-105ºC
Molecular Formula C9H5F2NO
Molecular Weight 181.139
Flash Point 137.5±25.1 °C
Exact Mass 181.033920
PSA 40.86000
LogP 1.21
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.498

 Safety Information

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26-36/37/39
HS Code 2926909090

 Synthetic Route

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3-(3,5-Difluorophenyl)-3-oxopropanenitrile Structure

3-(3,5-Difluoro...

CAS#:842140-51-6

Literature: WO2012/148994 A1, ; Page/Page column 114 ;

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3-(3,5-Difluorophenyl)-3-oxopropanenitrile Structure

3-(3,5-Difluoro...

CAS#:842140-51-6

Literature: Pyo, Ayoung; Park, Ahbyeol; Jung, Hyunmin; Lee, Sunwoo Synthesis (Germany), 2012 , vol. 44, # 18 p. 2885 - 2888

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3-(3,5-Difluorophenyl)-3-oxopropanenitrile Structure

3-(3,5-Difluoro...

CAS#:842140-51-6

Literature: WO2005/44785 A1, ; Page/Page column 91-92 ; WO 2005/044785 A1

 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

3-(3,5-Difluorophenyl)-3-oxopropanenitrile
Benzenepropanenitrile, 3,5-difluoro-β-oxo-
3,5-Difluorobenzoylacetonitrile
3,5-Difluoro-b-oxo-benzenepropanenitrile
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