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3-(Trifluoromethyl)thiophenol

3-(Trifluoromethyl)thiophenol structure

CAS No:
937-00-8
Formula:
C7H5F3S
Chemical Name:
3-(Trifluoromethyl)thiophenol
Synonyms:
3-(Trifluoromethyl)t;3-MERCAPTOBENZOTRIFLUORIDE;M-TRIFLUOROMETHYLTHIOPHENOL;3-(TRIFLUOROMETHYL)THIOPHENOL;3-(TRIFLUOROMETHYL)BENZENETHIOL;m-(Trifluoromethyl)benzenethiol;3-(Trifluoromethyl)thiophenol95%;3-(Trifluoromethyl)thiophenol 95%;3-(TRIFLUOROMETHYL)BENZENE-1-THIOL;3-(Trifluoromethyl)thiophenol3-Mercaptobenzotrifluoride
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-(Trifluoromethyl)thiophenol Basic Attributes

Molecular Weight：

178.175

Exact Mass：

178.006409

NSC Number：

88281

DSSTox ID：

DTXSID40239539

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

3.49

Appearance：

clear colorless liquid

Density：

1.3±0.1 g/cm3

Boiling Point：

175.4±40.0 °C at 760 mmHg

Flash Point：

63.0±15.6 °C

Refractive Index：

1.493

Safety Information

Transport codes：

3334

hazard class code：

R22;R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P210, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H227

GHS Classification：

|Danger|H227 (11.11%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.18
XLogP3:3.5
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:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-(Trifluoromethyl)thiophenol

CAS No.: 937-00-8

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Content: 98%

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Guide of 3-(Trifluoromethyl)thiophenol

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-(Trifluoromethyl)thiophenol

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