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3-Ethylthiophene

3-Ethylthiophene structure

CAS No:
1795-01-3
Formula:
C6H8S
Chemical Name:
3-Ethylthiophene
Synonyms:
Thiophene,3-ethyl-;3-Ethylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless to light yellow liquid

Liquid

3-Ethylthiophene Basic Attributes

Molecular Weight：

112.19

Exact Mass：

112.19

EC Number：

217-267-6

UNII：

N2F423BE79

DSSTox ID：

DTXSID20170815

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

2.89

Appearance：

Liquid

Density：

Melting Point：

-89.1 °C

Boiling Point：

136 °C

Flash Point：

22.8±4.9 °C

Refractive Index：

1.5130 to 1.5170

Water Solubility：

417.8 mg/L @ 25 °C (est)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

hazard class code：

safety instructions：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:112.19
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:112.03467143
Monoisotopic Mass:112.03467143
Topological Polar Surface Area:28.2
Heavy Atom Count:7
Complexity:52.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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