ChemicalBook--->CAS DataBase List--->1885-76-3

1885-76-3

1885-76-3 Structure

1885-76-3 Structure
IdentificationBack Directory
[Name]

2-METHYL-6-NITROBENZONITRILE
[CAS]

1885-76-3
[Synonyms]

6-NITRO-O-TOLUNITRILE
6-nitro-2-toluonitrile
2-METHYL-6-NITROBENZONITRILE
2-Methyl-6-nitrobenzonitrile 98%
2-methyl-6-nitro-benzenecarbonitrile
2-methyl-6-nitrobenzonitrile(SALTDATA: FREE)
[EINECS(EC#)]

217-553-0
[Molecular Formula]

C8H6N2O2
[MDL Number]

MFCD00007266
[MOL File]

1885-76-3.mol
[Molecular Weight]

162.15
Chemical PropertiesBack Directory
[Melting point ]

108-110 °C(lit.)
[Boiling point ]

326.2±30.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

Light orange to Yellow to Green
[InChI]

1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
[InChIKey]

BOTPDHNZLRJZOO-UHFFFAOYSA-N
[SMILES]

Cc1cccc(c1C#N)[N+]([O-])=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Methyl-6-nitrobenzonitrile was used in the synthesis of 5-arylthiomethyl-2,4-diaminoquinazolines. It was also used as starting reagent in the microwave assisted synthesis of 8-amino-2-methyl-3,4-dihydroisoquinolin-1-one.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-6-NITROBENZONITRILE(1885-76-3)MS
2-METHYL-6-NITROBENZONITRILE(1885-76-3)1HNMR
2-METHYL-6-NITROBENZONITRILE(1885-76-3)13CNMR
2-METHYL-6-NITROBENZONITRILE(1885-76-3)IR1
2-METHYL-6-NITROBENZONITRILE(1885-76-3)IR2
2-METHYL-6-NITROBENZONITRILE(1885-76-3)Raman
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