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2-Thiophenecarbonitrile

2-Thiophenecarbonitrile structure

CAS No:
1003-31-2
Formula:
C5H3NS
Chemical Name:
2-Thiophenecarbonitrile
Synonyms:
2-Thiophenecarbonitrile;2-Cyanothiophene;2-Thienonitrile;2-Thienylcarbonitrile;Thiopheno-2-carbonitrile;2-Thiophenenitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear colorless to yellow liquid

2-Thiophenecarbonitrile Basic Attributes

Molecular Weight：

109.15

Exact Mass：

109.15

BRN：

107035

EC Number：

213-706-0

DSSTox ID：

DTXSID10143114

HScode：

29349990

Characteristics

PSA：

XLogP3：

1.3

Appearance：

Clear colorless to yellow Liquid

Density：

1.1800 g/cm³ @ Temp: 16 °C

Melting Point：

125-134 °C (decomp)

Boiling Point：

192 °C

Flash Point：

128 °F

Refractive Index：

n20/D 1.563(lit.)

Water Solubility：

Slightly miscible with water.

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-22-37/38-41-20/21/22-36/37/38

safety instructions：

26-39-36/37-16-36

Marks：

Xn,Xi,F

Hazard note：

Harmful

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H318-H335

GHS Classification：

|Danger|H226 (91.84%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:109.15
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:108.99862027
Monoisotopic Mass:108.99862027
Topological Polar Surface Area:52
Heavy Atom Count:7
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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