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:
Molecular Weight:
162.15
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
mp
108-110 °C (lit.)
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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A microwave-assisted alternative synthesis of 8-amino-2-methyl-3, 4-dihydroisoquinolin-1-one.
Glossop, SC.
Synthesis, 2007(07), 981-983 (2007)
Synthesis of 5-substituted quinazolines as potential antimalarial agents.
W T Ashton et al.
Journal of medicinal chemistry, 16(11), 1233-1237 (1973-11-01)
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