| Identification | More | [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 Properties | Back 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.) | [form ]
powder to crystal | [color ]
White to Light yellow | [BRN ]
1947376 | [CAS DataBase Reference]
939-83-3(CAS DataBase Reference) |
| Safety Data | Back 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 |
| Hazard Information | Back 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. |
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