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3-Chlorothiophene

3-Chlorothiophene structure

CAS No:
17249-80-8
Formula:
C4H3ClS
Chemical Name:
3-Chlorothiophene
Synonyms:
Thiophene,3-chloro-;3-Chlorothiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear colorless to light yellow liquid

3-Chlorothiophene Basic Attributes

Molecular Weight：

118.58

Exact Mass：

118.58

BRN：

105255

DSSTox ID：

DTXSID20169325

HScode：

29339900

Characteristics

PSA：

28.2

XLogP3：

2.6

Appearance：

Clear colorless to light yellow Liquid

Density：

1.276 g/mL at 25 °C(lit.)

Melting Point：

-62 °C

Boiling Point：

136-137 °C

Flash Point：

99 °F

Refractive Index：

n20/D 1.553(lit.)

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

hazard class code：

61-10-36-36/37/38-41-37/38-22

safety instructions：

53-16-26-45-36-7/9-37/39-39

Marks：

T,F,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P201-P210-P280-P305 + P351 + P338-P308 + P313-P370 + P378

Hazard Statements：

H226-H302-H315-H319-H335-H360

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:118.59
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Exact Mass:117.9643990
Monoisotopic Mass:117.9643990
Topological Polar Surface Area:28.2
Heavy Atom Count:6
Complexity:46.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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