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3-Fluorothiophenol

3-Fluorothiophenol structure

CAS No:
2557-77-9
Formula:
C6H5FS
Chemical Name:
3-Fluorothiophenol
Synonyms:
Benzenethiol,3-fluoro-;Benzenethiol,m-fluoro-;3-Fluorobenzenethiol;m-Fluorobenzenethiol;3-Fluorothiophenol;(3-Fluorophenyl)thiol;3-Fluorobenzene-1-thiol;2416370-02-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to pale yellow liquid

3-Fluorothiophenol Basic Attributes

Molecular Weight：

128.167

Exact Mass：

128.17

EC Number：

219-876-2

DSSTox ID：

DTXSID10180261

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

2.56

Appearance：

clear colorless to pale yellow liquid

Density：

1.2±0.1 g/cm3

Boiling Point：

156 °C

Flash Point：

56.5±8.1 °C

Refractive Index：

1.561

Vapor Pressure：

2.8mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H226 (15.22%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:128.17
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:128.00959950
Monoisotopic Mass:128.00959950
Topological Polar Surface Area:1
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2557-77-9

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CAS No.: 2557-77-9

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