3-Nitro-4-methylbenzonitrile

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Names

[ CAS No. ]:
939-79-7

[ Name ]:
3-Nitro-4-methylbenzonitrile

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • p-Tolunitrile
  • 4-Methyl-3-nitrobenzaldehyde
  • 4,2-chloronitrotoluene
  • POTASSIUM CYANIDE
  • 4-Iodo-2-nitrotoluene
  • 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
  • (3-nitro-4-methylphenyl)chlorodiazirine
  • methyl 4-methyl-3-nitrobenzenecarboximidate
  • 3-azido-3-(4-methyl-3-nitrophenyl)-3H-diazirine
  • nitric acid

DownStream

  • 3-Hydroxy-4-methylbenzonitrile
  • 3-Amino-p-tolunitrile
  • 3-Methoxy-4-methylbenzonitrile
  • 4-(bromomethyl)-3-nitrobenzonitrile
  • Benzonitrile, 4,4'-(p-phenylenedivinylene)bis[3-nitro- (en)
  • 4-Methyl-3-nitrobenzoic acid
  • 2-Nitroterephthalic acid
  • 3-Hydroxy-4-methylbenzoic acid
  • 3-hydroxy-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
  • 4-Methyl-3-nitrobenzoyl chloride

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%

Articles

Synthesis and biological evaluation of botulinum neurotoxin a protease inhibitors.

J. Med. Chem. 53(5) , 2264-76, (2010)

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)


More Articles

Related Compounds

  • 3-NITRO-4-PIPERIDIN-1-YL-PHENYLAMINE
  • 3-Nitro-4-amino-phthalsaeure
  • 3-nitro-4-[(pyridin-3-ylmethyl)amino]benzoic acid
  • 3-nitro-4-morpholinopyridine
  • 3-nitro-4-(pyridin-1-ium-1-ylmethyl)benzonitrile,chloride
  • 3-Nitro-4-(1-piperidinyl)benzonitrile
  • Benzenemethanamine, 2-ethyl-4-fluoro-I+/--methyl-
  • 3-(azetidin-2-yl)-N,N-dimethylaniline
  • 4-(1-Aminobutyl)-2-methylphenol
  • 1-(3-(Difluoromethyl)phenyl)ethan-1-amine
  • 5-(1-Aminobut-3-EN-1-YL)-2-methylaniline
  • 5-cyclopropyl-N,N-dimethyl-1,3,4-oxadiazol-2-amine
  • 2-Amino-3-(2-methylpyridin-3-yl)propanoic acid
  • 3-(2-Methylpyridin-3-yl)morpholine
  • 2-(2-Fluorophenyl)azetidine
  • N-(but-3-yn-1-yl)-3,4-dimethylbenzamide
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