3-Fluoro-5-nitrobenzonitrile

Modify Date: 2025-09-15 21:49:33

3-Fluoro-5-nitrobenzonitrile Structure
3-Fluoro-5-nitrobenzonitrile structure
Common Name 3-Fluoro-5-nitrobenzonitrile
CAS Number 110882-60-5 Molecular Weight 166.109
Density 1.4±0.1 g/cm3 Boiling Point 255.3±25.0 °C at 760 mmHg
Molecular Formula C7H3FN2O2 Melting Point 50ºC
MSDS N/A Flash Point 108.2±23.2 °C

 Names

Name 3-Fluoro-5-nitrobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 255.3±25.0 °C at 760 mmHg
Melting Point 50ºC
Molecular Formula C7H3FN2O2
Molecular Weight 166.109
Flash Point 108.2±23.2 °C
Exact Mass 166.017853
PSA 69.61000
LogP 0.88
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.553
InChIKey GPVDTRGEVKDJOI-UHFFFAOYSA-N
SMILES N#Cc1cc(F)cc([N+](=O)[O-])c1

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~87%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

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Literature: CYTOKINETICS, INC. Patent: WO2007/70626 A2, 2007 ; Location in patent: Page/Page column 40 ;

~94%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

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Literature: Chambers, Richard D.; Fox, Mark A.; Sandford, Graham; Trmcic, Jelena; Goeta, Andres Journal of Fluorine Chemistry, 2007 , vol. 128, # 1 p. 29 - 33

~80%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

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Literature: Adams, David J.; Clark, James H.; Nightingale, David J. Synthetic Communications, 1998 , vol. 28, # 23 p. 4295 - 4301

~83%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

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Literature: Naito, Hiroyuki; Ohsuki, Satoru; Atsumi, Ryo; Minami, Megumi; Mochizuki, Mineko; Hirotani, Kenji; Kumazawa, Eiji; Ejima, Akio Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 2 p. 153 - 163

~61%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

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Literature: Adams; Rinehart Journal of Antibiotics, 1994 , vol. 47, # 12 p. 1456 - 1465

~%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

Learn More
Literature: Journal of Antibiotics, , vol. 47, # 12 p. 1456 - 1465

~%

3-Fluoro-5-nitrobenzonitrile Structure

3-Fluoro-5-nitr...

CAS#:110882-60-5

Learn More
Literature: Journal of Antibiotics, , vol. 47, # 12 p. 1456 - 1465

 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-Fluoro-5-nitrobenzonitrile
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