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3-Ethynylthiophene

3-Ethynylthiophene structure

CAS No:
67237-53-0
Formula:
C6H4S
Chemical Name:
3-Ethynylthiophene
Synonyms:
3-ETHYNYLTHIOPHENE96;thienylacetylene;Thiophene, 3-ethynyl- (9CI);3-Ethynylthiophene;(Thien-3-yl)acetylene;3-Thienylacethylene;3-Ethynylthiophene 96%;Thiophene, 3-ethynyl-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Ethynylthiophene Basic Attributes

Molecular Weight：

108.16

Exact Mass：

108.003372

DSSTox ID：

DTXSID70393537

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

1.8

Appearance：

Colorless to yellow to orange Liquid

Density：

1.098 g/mL at 25 °C(lit.)

Boiling Point：

152-153 °C(lit.)

Flash Point：

115 °F

Refractive Index：

n20/D 1.5800(lit.)

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Room temperature.

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-37/38-41

safety instructions：

16-26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H315-H318-H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:108.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:108.00337130
Monoisotopic Mass:108.00337130
Topological Polar Surface Area:28.2
Heavy Atom Count:7
Complexity:98
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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