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Reference substances

Reference substances

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General information

Inventory

EC number:
249-921-1
EC name:
4-methyl-1H-benzotriazole
CAS number:
29878-31-7

No inventory information available

Reference substance information

IUPAC name:
4-methyl-1H-benzotriazole
Synonyms
Names:
1H-Benzotriazole, 4-methyl-
Identifier:
IUPAC name
4-Methyl-1H-benzo[1,2,3]triazole
Identifier:
IUPAC name
4-Methyl-1H-benzotriazole
Identifier:
other: InChl
1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
Identifier:
other: SMILES notation
Cc1cccc2[nH]nnc12
Identifier:
other: InChl
InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
Identifier:
other: SMILES notation
n1nc2c(cccc2[nH]1)C

CAS information

CAS number:
29878-31-7

Molecular and structural information

Molecular formula:
C7H7N3
Molecular weight:
133.151
SMILES notation:
Cc1cccc2nnc12
InChl:
InChI=1/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
Structural formula:
Chemical structure