2-Methyl-5-nitrobenzonitrile

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

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)

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
1,2-Dichloro-3-(difluoromethyl)-4,5,6-trifluorobenzene
2,2-Dimethyl-3-(oxan-3-yl)propan-1-amine
2-[4-(cyclopentyloxy)-1H-pyrazol-1-yl]acetic acid
1,6-dimethyl-1H-Indazole-5-carboxaldehyde
6-Amino-5-(difluoromethyl)-3-nitropicolinoyl chloride
O-[1-(5-bromofuran-2-yl)ethyl]hydroxylamine
2-Bromo-5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine
4-Chloro-2-methyl-2H-indazole-5-carbaldehyde
4-(Cyclopropylmethoxy)-3-nitrobenzonitrile
3-[3-(3-Fluorophenoxy)propyl]piperidine

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