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Pentafluorobenzenethiol

Pentafluorobenzenethiol structure

CAS No:
771-62-0
Formula:
C6HF5S
Chemical Name:
Pentafluorobenzenethiol
Synonyms:
Benzenethiol,2,3,4,5,6-pentafluoro-;Benzenethiol,pentafluoro-;2,3,4,5,6-Pentafluorobenzenethiol;Pentafluorothiophenol;Pentafluorobenzenethiol;2,3,4,5,6-Pentafluorothiophenol;Perfluorothiophenol;Mercapto(pentafluoro)benzene;(Pentafluorophenyl)thiol;NSC 88286;PFBT;Pentafluorophenyl mercaptan;P 0861
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear colorless to slightly yellow liquid

Pentafluorobenzenethiol Basic Attributes

Molecular Weight：

200.13

Exact Mass：

200.13

BRN：

1876292

EC Number：

212-236-3

UNII：

CM7UNQ95TJ

NSC Number：

88286

DSSTox ID：

DTXSID10227887

HScode：

29309090

Characteristics

PSA：

XLogP3：

2.67080

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.501 g/mL at 25 °C(lit.)

Melting Point：

-24 °C

Boiling Point：

143 °C

Flash Point：

125 °F

Refractive Index：

n20/D 1.4645(lit.)

Water Solubility：

Insoluble in water.

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2920 8/PG 2

wgk germany：

hazard class code：

10-20/21/22-34

safety instructions：

16-26-36-36/37/39-45

RTECS Number：

DC1940000

Marks：

C,T

Hazard note：

Toxic/Stench

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H226-H302 + H312-H314-H331

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:200.13
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:199.97191202
Monoisotopic Mass:199.97191202
Topological Polar Surface Area:1
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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