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3-Propylthiophene

3-Propylthiophene structure

CAS No:
1518-75-8
Formula:
C7H10S
Chemical Name:
3-Propylthiophene
Synonyms:
Thiophene,3-propyl-;3-Propylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Propylthiophene Basic Attributes

Molecular Weight：

126.22

Exact Mass：

126.22

UNII：

L5S1ZBD98N

DSSTox ID：

DTXSID40333884

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

2.70060

Density：

0.9733 g/cm³ @ Temp: 20 °C

Melting Point：

-88.13 °C

Boiling Point：

160-162 °C

Flash Point：

33.9ºC

Refractive Index：

1.5050 to 1.5080

Vapor Pressure：

2.92mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG III

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:126.22
XLogP3:3.4
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

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CAS No.: 1518-75-8

Grade: Pharmaceutical Grade

Content: 99%

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