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1-Methylbenzotriazole

1-Methylbenzotriazole structure

CAS No:
13351-73-0
Formula:
C7H7N3
Chemical Name:
1-Methylbenzotriazole
Synonyms:
1H-Benzotriazole,1-methyl-;1-Methyl-1H-benzotriazole;1-Methylbenzotriazole;1-Methyl-1,2,3-benzotriazole;NSC 11743;1-Methyl-1H-benzo[d][1,2,3]triazole;1-Methyl-1H-1,2,3-benzotriazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Methylbenzotriazole Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

EC Number：

236-401-4

NSC Number：

11743

DSSTox ID：

DTXSID40158150

HScode：

2933990090

Characteristics

PSA：

30.71000

XLogP3：

0.96830

Density：

1.1873

Melting Point：

64.5 °C

Boiling Point：

270.5 °C

Flash Point：

117.4ºC

Refractive Index：

1.5341 (estimate)

Vapor Pressure：

0.0113mmHg at 25°C

PKA：

1.40±0.30

Safety Information

Hazard category：

IRRITANT

safety instructions：

22-24/25

RTECS Number：

DM1330000

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-Methylbenzotriazole Use and Manufacturing

Use Classification：

Corrosion inhibitors -> Transformation products

Computed Properties

Molecular Weight:133.15
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Exact Mass:133.063997236
Monoisotopic Mass:133.063997236
Topological Polar Surface Area:30.7
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes