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Home > Encyclopedia > 3-Chloro-4-fluorobenzenethiol

3-Chloro-4-fluorobenzenethiol

3-Chloro-4-fluorobenzenethiol structure

3-Chloro-4-fluorobenzenethiol 

structure
  • CAS No:

    60811-23-6

  • Formula:

    C6H4ClFS

  • Chemical Name:

    3-Chloro-4-fluorobenzenethiol

  • Synonyms:

    Benzenethiol,3-chloro-4-fluoro-;3-Chloro-4-fluorobenzenethiol;3-Chloro-4-fluorothiophenol;3-Chloro-4-fluorobenzene-1-thiol

Description

clear colorless to light yellow liquid

3-Chloro-4-fluorobenzenethiol Basic Attributes

162.61

162.61

DTXSID00370154

2930909090

Characteristics

1

3.50

1.4±0.1 g/cm3

91-92 °C @ Press: 20 Torr

68-70°C/2mm

1.580

Sparingly soluble (0.014 g/L) (25°C).

Safety Information

IRRITANT, STENCH

36/37/38-20/21/22-22

36/37/39-26

Xn,Xi

Irritant/Stench

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:162.61
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:161.9706272
Monoisotopic Mass:161.9706272
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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