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2-Propylthiophene

2-Propylthiophene structure

CAS No:
1551-27-5
Formula:
C7H10S
Chemical Name:
2-Propylthiophene
Synonyms:
Thiophene,2-propyl-;2-Propylthiophene;2-n-Propylthiophene;NSC 82326
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Brown liquid

2-Propylthiophene Basic Attributes

Molecular Weight：

126.22

Exact Mass：

126.22

BRN：

105753

EC Number：

216-288-8

UNII：

Y6M897104J

NSC Number：

82326

DSSTox ID：

DTXSID50165810

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

3.2

Density：

0.9683 g/cm³ @ Temp: 20 °C

Melting Point：

-51.23°C (estimate)

Boiling Point：

158 °C

Flash Point：

112 °F

Refractive Index：

n20/D 1.506(lit.)

Water Solubility：

132.9 mg/L @ 25 °C (est)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|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, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:126.22
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:126.05032149
Monoisotopic Mass:126.05032149
Topological Polar Surface Area:28.2
Heavy Atom Count:8
Complexity:61.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes