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188719

2-Methyl-6-nitrobenzonitrile

98%

Synonym(s):

6-Nitro-o-tolunitrile

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About This Item

Linear Formula:
O2NC6H3(CH3)CN
CAS Number:
1885-76-3
Molecular Weight:
162.15
NACRES:
NA.22
PubChem Substance ID:
24851171
UNSPSC Code:
12352100
EC Number:
217-553-0
MDL number:
MFCD00007266
Assay:
98%
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assay

98%

mp

108-110 °C (lit.)

functional group

nitrile, nitro

SMILES string

Cc1cccc(c1C#N)[N+]([O-])=O

InChI

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

InChI key

BOTPDHNZLRJZOO-UHFFFAOYSA-N

Application

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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