ChemicalBook--->CAS DataBase List--->939-83-3

939-83-3

939-83-3 Structure

939-83-3 Structure
IdentificationMore
[Name]

2-METHYL-5-NITROBENZONITRILE
[CAS]

939-83-3
[Synonyms]

2-METHYL-5-NITROBENZONITRILE
5-NITRO-2-METHYLBENZONITRILE
5-NITRO-O-TOLUNITRILE
AKOS BBS-00000038
4-Nitro-2-cyanotoluene
[Molecular Formula]

C8H6N2O2
[MDL Number]

MFCD00017040
[Molecular Weight]

162.15
[MOL File]

939-83-3.mol
Chemical PropertiesBack Directory
[Melting point ]

103.5-107.5 °C (lit.)
[Boiling point ]

175°C/10mmHg(lit.)
[density ]

1.3264 (rough estimate)
[refractive index ]

1.5770 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

ethanol: soluble(lit.)
[BRN ]

1947376
[CAS DataBase Reference]

939-83-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Nitric acid-->o-Tolunitrile
[Preparation Products]

5-Iodo-2-methylbenzoic acid-->3,5-Dinitro-2-methylbenzoic acid-->Methyl 5-nitro-2-methylbenzoate
Hazard InformationBack Directory
[Chemical Properties]

Light yellow crystalline
[Uses]

2-Methyl-5-nitrobenzonitrile was used in the preparation of 5-(2-methyl-5-nitrophenyl)-1H-tetrazole.
[Synthesis Reference(s)]

Tetrahedron Letters, 25, p. 4971, 1984 DOI: 10.1016/S0040-4039(01)91273-0
[General Description]

2-Methyl-5-nitrobenzonitrile is an aralkyl nitrile. It is formed by nitration of o-toluonitrile with NO2+BF4-. Crystal structure of 2-methyl-5-nitrobenzonitrile is stabilized by van der Waals interactions.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-5-NITROBENZONITRILE(939-83-3)MS
2-METHYL-5-NITROBENZONITRILE(939-83-3)1HNMR
2-METHYL-5-NITROBENZONITRILE(939-83-3)13CNMR
2-METHYL-5-NITROBENZONITRILE(939-83-3)IR1
2-METHYL-5-NITROBENZONITRILE(939-83-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Methyl-5-nitrobenzonitrile, 98%(939-83-3)
[Sigma Aldrich]

939-83-3(sigmaaldrich)
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