3-Nitro-4-methylbenzonitrile

Modify Date: 2024-01-02 11:46:50

3-Nitro-4-methylbenzonitrile Structure
3-Nitro-4-methylbenzonitrile structure
Common Name 3-Nitro-4-methylbenzonitrile
CAS Number 939-79-7 Molecular Weight 162.145
Density 1.3±0.1 g/cm3 Boiling Point 282.0±28.0 °C at 760 mmHg
Molecular Formula C8H6N2O2 Melting Point 102-106 °C(lit.)
MSDS Chinese USA Flash Point 124.3±24.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Methyl-3-nitrobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 282.0±28.0 °C at 760 mmHg
Melting Point 102-106 °C(lit.)
Molecular Formula C8H6N2O2
Molecular Weight 162.145
Flash Point 124.3±24.0 °C
Exact Mass 162.042923
PSA 69.61000
LogP 1.63
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.568

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR 3439
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~96%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Allison, Brett D.; Hack, Michael D.; Phuong, Victor K.; Rabinowitz, Michael H.; Rosen, Mark D. Patent: US2005/38032 A1, 2005 ; Location in patent: Page/Page column 29 ; US 20050038032 A1

~90%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Patil, Dinanath D.; Wadhava, Gurumeet C.; Deshmukh, Arun K. Asian Journal of Chemistry, 2012 , vol. 24, # 3 p. 1401 - 1402

~42%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Sundermeier, Mark; Zapf, Alexander; Mutyala, Sateesh; Baumann, Wolfgang; Sans, Juergen; Weiss, Stefan; Beller, Matthias Chemistry - A European Journal, 2003 , vol. 9, # 8 p. 1828 - 1836

~76%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Zheng, Kui; Yu, Peng; Chen, Shuyou; Chen, Fen; Cheng, Jiang Chinese Journal of Chemistry, 2013 , vol. 31, # 4 p. 449 - 452

~%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708

~%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708

~%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708

~%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708

~%

3-Nitro-4-methylbenzonitrile Structure

3-Nitro-4-methy...

CAS#:939-79-7

Literature: Chemische Berichte, , vol. 27, p. 2165

 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%

 Articles3

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NSC 240898 was previously identified as a botulinum neurotoxin A light chain (BoNT/A LC) endopeptidase inhibitor by screening the National Cancer Institute Open Repository diversity set. Two types of ...

Comparative vibrational spectroscopic investigation of benzonitrile derivatives using density functional theory. Misra N, et al.

Der Pharma Chemica 1(1) , 196-209, (2009)

4-Methyl-3-nitrobenzonitrile. Cui LJ and Dai J

Acta Crystallogr. Sect. E Struct. Rep. Online 64(10) , o1898, (2008)

 Synonyms

4-methyl-3-nitrobenzenecarbonitrile
4-methyl-3-nitro benzonitrile
3-Nitro-4-methylbenzonitrile
4-Methyl-3-nitrobenzolcarbonitril
3-Nitro-p-tolunitrile
MFCD00031482
2-nitro-4-cyanotoluene
5-Cyano-2-methylnitrobenzene
Benzonitrile,4-methyl-3-nitro
4-Cyano-2-nitrotoluene
4-Methyl-3-nitrobenzonitrile
Benzonitrile, 4-methyl-3-nitro-
1-methyl-4-cyano-2-nitrobenzene
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