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2-Ethynylthiophene

2-Ethynylthiophene structure

CAS No:
4298-52-6
Formula:
C6H4S
Chemical Name:
2-Ethynylthiophene
Synonyms:
2-ETHYNYLTHIOPHENE;TIMTEC-BBSBB008821;(2-Thienyl)acetylene;2-Acetylenylthiophene;(Thien-2-yl)acetylene;2-Ethynylthiophene90%;2-Ethynylthiophene95+%;Thiophene,2-ethynyl-(6CI,7CI,8CI,9CI)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Clear yellow liquid

2-Ethynylthiophene is a heteroarene.

2-Ethynylthiophene Basic Attributes

Molecular Weight：

108.16

Exact Mass：

108.003372

DSSTox ID：

DTXSID40412961

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

1.9

Density：

1.08

Boiling Point：

70℃/20Torr

Flash Point：

42℃

Refractive Index：

n20/D1.580

Storage Conditions：

StoreCold

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993C 3 / PGIII

wgk germany：

hazard class code：

10-36/37/38-36

safety instructions：

16-23-26-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory.

2-Ethynylthiophene Use and Manufacturing

2-[(trimethylsilyl)ethynyl]thiophene (1 mmol), inorganic base potassium tert-butoxide (sodium) or potassium hydroxide (sodium) or potassium trimethylsilylate (sodium) (0.05 mmol), 2 mL of DMA or DMSO solvent was sequentially added to a 10 mL sealed tube and heated and stirred in a 60° C. oil bath for 6 hours. The progress of the reaction was followed by TLC. The reaction was completed and an equivalent of mesitylene or n-undecane was added to the crude product. The exact yield of the product was determined by GC and GC-MS. According to GC and GC-MS, when DMSO is used as a reaction solvent, inorganic base potassium tert-butoxide (sodium) or potassium hydroxide (sodium) or potassium trimethylsilylate (sodium) is used as a catalyst, and the yields of the products are as follows: 59percent, 66percent, 75percent, 77percent, 92percent, 85percent. When DMA was used as the reaction solvent, the inorganic potassium tert-butoxide (sodium) or potassium hydroxide (sodium) or potassium trimethylsilylate (sodium) was used as a catalyst, and the yield of the product was: 51percent, 60percent, respectively. 67percent, 70percent, 81percent, 72percent.

Computed Properties

Molecular Weight:108.16
XLogP3:1.9
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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Guide of 2-Ethynylthiophene

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Ethynylthiophene

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