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4-(TRIFLUOROMETHYL)THIOPHENOL

4-(TRIFLUOROMETHYL)THIOPHENOL structure

CAS No:
825-83-2
Formula:
C7H5F3S
Chemical Name:
4-(TRIFLUOROMETHYL)THIOPHENOL
Synonyms:
4-(TRIFLUOROMETHYL)T;4-MERCAPTOBENZOTRIFLUORIDE;4-(Trifluoromethylthio)phenol;4-(Trifluoromethyl)benzenethiol;4-(Trifluoromethyl)thiophenol97%;4-(TRIFLUOROMETHYL)BENZENE-1-THIOL;4-(Trifluoromethyl)benzene-1-thiol, Tech.;A12725, 4-(Trifluoromethyl)thiophenol, 97%;4-Mercaptobenzotrifluoride, 4-(Trifluoromethyl)benzenethiol, 4-(Trifluoromethyl)phenyl mercaptan
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

4-(TRIFLUOROMETHYL)THIOPHENOL Basic Attributes

Molecular Weight：

178.175

Exact Mass：

178.006409

DSSTox ID：

DTXSID90231801

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

3.49

Appearance：

clear colorless to light yellow liquid

Density：

1.3±0.1 g/cm3

Melting Point：

56-57

Boiling Point：

179.2±40.0 °C at 760 mmHg

Flash Point：

64.9±15.6 °C

Refractive Index：

1.493

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator (+4ºC)

Safety Information

Transport codes：

UN 2810

hazard class code：

R36/37/38

safety instructions：

S37/39-S26

Marks：

Xi:Irritant;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.18
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:178.00640582
Monoisotopic Mass:178.00640582
Topological Polar Surface Area:1
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 4-(TRIFLUOROMETHYL)THIOPHENOL

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Guide of 4-(TRIFLUOROMETHYL)THIOPHENOL

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-(TRIFLUOROMETHYL)THIOPHENOL

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