| Identification | Back 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 Properties | Back 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 Data | Back 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 Information | Back 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. |
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