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3-(Trifluoromethoxy)benzenethiol

3-(Trifluoromethoxy)benzenethiol structure

CAS No:
220239-66-7
Formula:
C7H5F3OS
Chemical Name:
3-(Trifluoromethoxy)benzenethiol
Synonyms:
Benzenethiol,3-(trifluoromethoxy)-;3-(Trifluoromethoxy)benzenethiol;3-(Trifluoromethyloxy)thiophenol

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3-(Trifluoromethoxy)benzenethiol Basic Attributes

Molecular Weight：

194.17

Exact Mass：

194.17

EC Number：

642-495-1

DSSTox ID：

DTXSID00380490

Characteristics

Density：

1.363±0.06 g/cm3

Boiling Point：

181.1±35.0 °C(Predicted)

Refractive Index：

1.477

Water Solubility：

Not miscible in water.

PKA：

5.68±0.10

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

hazard class code：

20/21/22-36/37/38-43

safety instructions：

23-26-36/37/39-36/37

Marks：

Computed Properties

Molecular Weight:194.18
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:194.00132044
Monoisotopic Mass:194.00132044
Topological Polar Surface Area:10.2
Heavy Atom Count:12
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Trifluoromethoxy)benzenethiol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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