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5-Chlorobenzo[b]thiophene-3-acetonitrile

5-Chlorobenzo[b]thiophene-3-acetonitrile structure

CAS No:
23799-60-2
Formula:
C10H6ClNS
Chemical Name:
5-Chlorobenzo[b]thiophene-3-acetonitrile
Synonyms:
Benzo[b]thiophene-3-acetonitrile,5-chloro-;5-Chlorobenzo[b]thiophene-3-acetonitrile;5-Chlorobenzothien-3-ylacetonitrile;2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile;2-(5-Chloro-1-benzothiophen-3-yl)acetonitrile

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5-Chlorobenzo[b]thiophene-3-acetonitrile Basic Attributes

Molecular Weight：

207.68

Exact Mass：

207.68

BRN：

1242708

DSSTox ID：

DTXSID50381578

HScode：

2934999090

Characteristics

PSA：

52.03000

XLogP3：

3.62078

Density：

1.373g/cm3

Melting Point：

133 °C

Boiling Point：

373.5ºC at 760mmHg

Flash Point：

179.7ºC

Refractive Index：

1.675

Vapor Pressure：

8.89E-06mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

22-36/37/38-36

safety instructions：

26-36

Marks：

Xn:Harmful;

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.68
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:206.9909481
Monoisotopic Mass:206.9909481
Topological Polar Surface Area:52
Heavy Atom Count:13
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Chlorobenzo[b]thiophene-3-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-Chlorobenzo[b]thiophene-3-acetonitrile

SDS

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