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2-Butylthiophene

2-Butylthiophene structure

CAS No:
1455-20-5
Formula:
C8H12S
Chemical Name:
2-Butylthiophene
Synonyms:
Thiophene,2-butyl-;2-Butylthiophene;2-n-Butylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Butylthiophene Basic Attributes

Molecular Weight：

140.25

Exact Mass：

140.25

BRN：

107046

EC Number：

215-935-1

DSSTox ID：

DTXSID80163081

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

3.8

Density：

0.9554 g/cm³ @ Temp: 20 °C

Melting Point：

-56.9°C (estimate)

Boiling Point：

181.5 °C

Flash Point：

35°C

Refractive Index：

1.502

Water Solubility：

Soluble in acetone and DMSO.

Vapor Pressure：

1.18mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

hazard class code：

R10

safety instructions：

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (71.43%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 133 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-n-butylthiophene

2-Butylthiophene Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:140.25
XLogP3:3.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:140.06597156
Monoisotopic Mass:140.06597156
Topological Polar Surface Area:28.2
Heavy Atom Count:9
Complexity:71
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Butylthiophene

CAS No.: 1455-20-5

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