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1-(ALPHA-CHLOROACETYL)-1H-BENZOTRIAZOLE

1-(ALPHA-CHLOROACETYL)-1H-BENZOTRIAZOLE structure

CAS No:
50531-70-9
Formula:
C8H6ClN3O
Chemical Name:
1-(ALPHA-CHLOROACETYL)-1H-BENZOTRIAZOLE
Synonyms:
1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-chloroethanone;1-(alpha-Chloroacetyl)-1H-benzotriazole;1-(1H-Benzotriazol-1-yl)-2-chloroethan-1-one;1-(benzotriazol-1-yl)-2-chloroethanone;SCHEMBL2494210;CTK8F2814;DTXSID60401433;ZINC242148;1-(Chloroacetyl)-1H-benzotriazole;AKOS015889209

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1-(ALPHA-CHLOROACETYL)-1H-BENZOTRIAZOLE Basic Attributes

Molecular Weight：

195.61

Exact Mass：

195.02000

DSSTox ID：

DTXSID60401433

HScode：

2933990090

Characteristics

PSA：

47.8

XLogP3：

1.31030

Density：

1.49±0.1 g/cm3(Predicted)

Melting Point：

97-101 °C(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:195.60
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.0199395
Monoisotopic Mass:195.0199395
Topological Polar Surface Area:47.8
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(ALPHA-CHLOROACETYL)-1H-BENZOTRIAZOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(ALPHA-CHLOROACETYL)-1H-BENZOTRIAZOLE

SDS

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