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1-Chlorobenzotriazole

1-Chlorobenzotriazole structure

CAS No:
21050-95-3
Formula:
C6H4ClN3
Chemical Name:
1-Chlorobenzotriazole
Synonyms:
1H-Benzotriazole,1-chloro-;1-Chloro-1H-benzotriazole;1-Chlorobenzotriazole;N-Chlorobenzotriazole;1-Chloro-1,2,3-benzotriazole;NSC 186037;1-Chloro-1H-1,2,3-benzotriazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Solid

1-Chlorobenzotriazole Basic Attributes

Molecular Weight：

153.56906

Exact Mass：

153.57

EC Number：

244-171-1

NSC Number：

186037

DSSTox ID：

DTXSID50175272

HScode：

2933990090

Characteristics

PSA：

30.7

XLogP3：

1.43320

Density：

1.51g/cm3

Melting Point：

105-106 °C

Boiling Point：

282ºC at 760mmHg

Flash Point：

124.3ºC

Refractive Index：

1.712

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Vapor Pressure：

0.00345mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

Marks：

Storage features：

Low temperature, ventilated and dry warehouse; airtight storage

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-chloro-benzotriazole

1-Chlorobenzotriazole Use and Manufacturing

Oxidation

Computed Properties

Molecular Weight:153.57
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:153.0093748
Monoisotopic Mass:153.0093748
Topological Polar Surface Area:30.7
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-CHLOROBENZOTRIAZOLE

CAS No.: 21050-95-3

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