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4-thiophen-3-ylbenzonitrile

4-thiophen-3-ylbenzonitrile structure

CAS No:
172507-33-4
Formula:
C11H7NS
Chemical Name:
4-thiophen-3-ylbenzonitrile
Synonyms:
4'-thien-3-ylbenzonitrile; 4-Thiophen-3-yl-benzonitrile; Benzonitrile,4-(3-thienyl); 4-[3]thienyl-benzonitrile; 4-[3]-thienilbenzonitrile; 4-[3]Thienyl-benzonitril;Expand

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4-thiophen-3-ylbenzonitrile Basic Attributes

Molecular Weight：

185.24500

Exact Mass：

185.02992040

DSSTox ID：

DTXSID70399655

HScode：

2934999090

Characteristics

PSA：

52.03000

XLogP3：

3.28678

Density：

1.23g/cm3

Melting Point：

87-91ºC

Boiling Point：

303.7ºC

Flash Point：

137.5ºC

Refractive Index：

1.639

Vapor Pressure：

0.000913mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

hazard class code：

R22

safety instructions：

S26

Marks：

Precautionary statement(s)：

P261; P280; P301 + P310; P305 + P351 + P338

Hazard Statements：

H301; H315; H318; H335

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, P310, P312, P321, P330, P332+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:185.25
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:185.02992040
Monoisotopic Mass:185.02992040
Topological Polar Surface Area:52
Heavy Atom Count:13
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-thiophen-3-ylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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