3-Fluoro-4-methylbenzonitrile

Modify Date: 2024-01-02 18:07:03

3-Fluoro-4-methylbenzonitrile Structure
3-Fluoro-4-methylbenzonitrile structure
 Common Name 3-Fluoro-4-methylbenzonitrile
CAS Number 170572-49-3 Molecular Weight 135.138
Density 1.1±0.1 g/cm3 Boiling Point 215.1±20.0 °C at 760 mmHg
Molecular Formula C8H6FN Melting Point 48-50ºC
MSDS Chinese USA Flash Point 90.3±12.1 °C
Symbol GHS05
GHS05		 Signal Word Danger

 Names

Name 3-Fluoro-4-methylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 215.1±20.0 °C at 760 mmHg
Melting Point 48-50ºC
Molecular Formula C8H6FN
Molecular Weight 135.138
Flash Point 90.3±12.1 °C
Exact Mass 135.048431
PSA 23.79000
LogP 1.93
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.508

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H318
Precautionary Statements P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;T: Toxic;
Risk Phrases R20/21/22
Safety Phrases S36/37
RIDADR UN 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

3-Fluoro-4-methylbenzoyl chloride structure

3-Fluoro-4-meth...

CAS#:59189-97-8

~99%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Xue, Chu-Biao; Wityak, John; Sielecki, Thais M.; Pinto, Donald J.; Batt, Douglas G.; Cain, Gary A.; Sworin, Michael; Rockwell, Arlene L.; Roderick, John J.; Wang, Shuaige; Orwat, Michael J.; Frietze, William E.; Bostrom, Lori L.; Liu, Jie; Higley, C. Anne; Rankin, F. Wayne; Tobin, A. Ewa; Emmett, George; Lalka, George K.; Sze, Jean Y.; Di Meo, Susan V.; Mousa, Shaker A.; Thoolen, Martin J.; Racanelli, Adrienne L.; Hausner, Elizabeth A.; Reilly, Thomas M.; DeGrado, William F.; Wexler, Ruth R.; Olson, Richard E. Journal of Medicinal Chemistry, 1997 , vol. 40, # 13 p. 2064 - 2084
4-Bromo-2-fluorotoluene structure

4-Bromo-2-fluor...

CAS#:51436-99-8

~56%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Corvas International, Inc. Patent: US2002/37857 A1, 2002 ; Title/Abstract Full Text Show Details Corvas International, Inc. Patent: US6586405 B2, 2003 ;
p-Tolunitrile structure

p-Tolunitrile

CAS#:104-85-8

~59%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Chambers, Richard D.; Hutchinson, John; Sparrowhawk, Matthew E.; Sandford, Graham; Moilliet, John S.; Thomson, Julie Journal of Fluorine Chemistry, 2000 , vol. 102, # 1-2 p. 169 - 173
Triethylamine structure

Triethylamine

CAS#:121-44-8

Trichloroacetyl chloride structure

Trichloroacetyl...

CAS#:76-02-8

3-Fluoro-4-methylbenzamide structure

3-Fluoro-4-meth...

CAS#:170726-98-4

~%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: US5849736 A1, ;
4-Bromo-2-fluorotoluene structure

4-Bromo-2-fluor...

CAS#:51436-99-8

Copper cyanide structure

Copper cyanide

CAS#:544-92-3

~59%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Ho, Jonathan Z.; Gibson, Tony S.; Semple Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 5 p. 743 - 748
3-Fluoro-4-methylbenzoic acid structure

3-Fluoro-4-meth...

CAS#:350-28-7

~%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Journal of Medicinal Chemistry, , vol. 40, # 13 p. 2064 - 2084
3-FLUORO-4-METHYLBENZALDEHYDE structure

3-FLUORO-4-METH...

CAS#:177756-62-6

~%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Journal of Medicinal Chemistry, , vol. 40, # 11 p. 1634 - 1647
3-fluoro-4-methylbenzyl alcohol structure

3-fluoro-4-meth...

CAS#:192702-79-7

~%

3-Fluoro-4-methylbenzonitrile Structure

3-Fluoro-4-meth...

CAS#:170572-49-3

Literature: Journal of Medicinal Chemistry, , vol. 40, # 11 p. 1634 - 1647

 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-4-methylbenzenecarbonitrile
3-Fluoro-p-tolunitrile
4-methyl-3-fluorobenzonitrile
NCR CF D1
Benzonitrile, 3-fluoro-4-methyl-
4-Cyano-2-fluorotoluene
3-Fluoro-4-methylbenzonitrile
MFCD00153174
Benzonitrile,3-fluoro-4-methyl
2-Fluoro-4-cyanotoluene
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