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3-Butylthiophene

3-Butylthiophene structure

CAS No:
34722-01-5
Formula:
C8H12S
Chemical Name:
3-Butylthiophene
Synonyms:
3-N-BUTYLTHIOPHENE;3-BUTYLTHIOPHENE;3-N-BUTYLTHIOPHENE 98+%;3-3-butylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid

3-Butylthiophene Basic Attributes

Molecular Weight：

140.25

Exact Mass：

140.065964

DSSTox ID：

DTXSID20340657

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

3.9

Density：

0.957 g/mL at 25 °C(lit.)

Melting Point：

-56.9°C (estimate)

Boiling Point：

181-183 °C(lit.)

Flash Point：

140 °F

Refractive Index：

n20/D 1.501(lit.)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

safety instructions：

24/25

Precautionary statement(s)：

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

Hazard Statements：

H226

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 39 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:140.25
XLogP3:3.9
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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