2-Methyl-5-nitrobenzonitrile

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Names

[ CAS No. ]:
939-83-3

[ Name ]:
2-Methyl-5-nitrobenzonitrile

[Synonym ]:
5-Nitro-ortho-tolunitrile
Benzonitrile, 2-methyl-5-nitro-
2-Methyl-5-nitrobenzonitrile
MFCD00017040

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
291.5±28.0 °C at 760 mmHg

[ Melting Point ]:
103.5-107.5 °C(lit.)

[ Molecular Formula ]:
C8H6N2O2

[ Molecular Weight ]:
162.145

[ Flash Point ]:
130.1±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 ]:
R20/21/22

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Bromo-4-nitrotoluene
  • zinc,dicyanide
  • Ethyl cyanoacetate
  • o-Tolunitrile

DownStream

  • 5-Amino-2-methylbenzonitrile
  • 5-Bromo-2-methylbenzoic acid
  • 2-(bromomethyl)-5-nitrobenzonitrile
  • Methyl 2-methyl-5-nitrobenzoate
  • 4-Bromo-2-cyanobenzaldehyde
  • 5-Bromo-2-methylbenzonitrile
  • 2-Methyl-5-nitrobenzaldehyde
  • 4-Bromo-2-cyanobenzyl bromide
  • 3,5-Dinitro-2-methylbenzoic acid
  • 2-Methyl-5-nitrobenzoic acid

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

2-Methyl-5-nitro-benzonitrile.

Acta Crystallogr. Sect. E Struct. Rep. Online 64(6) , o972, (2008)

In the title compound, C(8)H(6)N(2)O(2), the nitro group is rotated by 10.2 (2)° out of the plane of the benzene ring. The crystal structure is stabilized by van der Waals inter-actions.

5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.

Acta Crystallogr. Sect. E Struct. Rep. Online 64(10) , o1944, (2008)

In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 45.7 (2)° with the tetra-zole ring. In the crystal structure, the mol-ecules are linked into a chain running along t...

Recent aspects of nitration: New preparative methods and mechanistic studies (A Review). Olah GA, et al.

Proc. Natl. Acad. Sci. U. S. A. 79(14) , 4487-94, (1982)


More Articles

Related Compounds

  • 4-Bromo-2-methyl-5-nitrobenzonitrile
  • 4-Fluoro-2-methyl-5-nitrobenzonitrile
  • 4-chloro-2-methyl-5-nitrobenzonitrile
  • 2-methyl-5-octan-2-ylbenzene-1,4-diol
  • 2-methyl-5-oxo-1-phenylpyrazole-3-carboxylic acid
  • 2-methyl-5-(2-morpholin-4-ylethoxy)phenol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 4-Chloro-6-(2-fluorophenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidine
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide