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Benzo[b]thiophene-3-acetonitrile

Benzo[b]thiophene-3-acetonitrile structure

CAS No:
3216-48-6
Formula:
C10H7NS
Chemical Name:
Benzo[b]thiophene-3-acetonitrile
Synonyms:
Benzo[b]thiophene-3-acetonitrile;3-Benzothienylacetonitrile;3-Benzothiopheneacetonitrile;3-(Cyanomethyl)benzo[b]thiophene;NSC 332302;(Benzo[b]thiophen-3-yl)acetonitrile;Thianaphthene-3-acetonirile;2-(Benzo[b]thien-3-yl)acetonitrile;2-(1-Benzothiophen-3-yl)acetonitrile

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Benzo[b]thiophene-3-acetonitrile Basic Attributes

Molecular Weight：

173.23

Exact Mass：

173.23

BRN：

125487

EC Number：

221-733-4

NSC Number：

332302

DSSTox ID：

DTXSID40185946

HScode：

2934999090

Characteristics

PSA：

XLogP3：

2.96738

Density：

1.244g/cm3

Melting Point：

66-67 °C

Boiling Point：

138-140 °C @ Press: 2 Torr

Flash Point：

159.5ºC

Refractive Index：

1.668

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

safety instructions：

22-36/37

Hazard note：

Harmful

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (16.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:173.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:173.02992040
Monoisotopic Mass:173.02992040
Topological Polar Surface Area:52
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzo[b]thiophene-3-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

Benzo[b]thiophene-3-acetonitrile

SDS

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