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2-(TRIFLUOROMETHYL)THIOPHENOL

2-(TRIFLUOROMETHYL)THIOPHENOL structure

CAS No:
13333-97-6
Formula:
C7H5F3S
Chemical Name:
2-(TRIFLUOROMETHYL)THIOPHENOL
Synonyms:
2-MERCAPTOBENZOTRIFLUORIDE;2-(TRIFLUOROMETHYL)BENZENETHIOL;2-(TRIFLUOROMETHYL)THIOPHENOL;2-(Trifluoromethyl)benzenethiol, 95+%;2-(Trifluoromethyl)thiophenol 97%;2-(Trifluoromethyl)thiophenol97%;2-Mercaptobenzotrifluoride, 2-(Trifluoromethyl)benzenethiol, 2-(Trifluoromethyl)phenyl mercaptan;2-(TRIFLUOROMETHYL)T
Categories:
Organic Chemistry > Coordination Complexes

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2-(TRIFLUOROMETHYL)THIOPHENOL Basic Attributes

Molecular Weight：

178.17

Exact Mass：

178.00640582

EC Number：

625-464-7

DSSTox ID：

DTXSID20380699

Characteristics

Density：

1.35 g/mL at 25 °C(lit.)

Boiling Point：

175-177 °C(lit.)

Refractive Index：

n20/D 1.499(lit.)

PKA：

5.67±0.43

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (12.77%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.18
XLogP3:3.1
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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Guide of 2-(TRIFLUOROMETHYL)THIOPHENOL

Basic Attributes
Characteristics
Safety Information
Computed Properties
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