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2,3-dimethyl-4-(trifluoromethylsulfanyl)phenol

2,3-dimethyl-4-(trifluoromethylsulfanyl)phenol structure

CAS No:
129644-70-8
Formula:
C9H9F3OS
Chemical Name:
2,3-dimethyl-4-(trifluoromethylsulfanyl)phenol
Synonyms:
2,3-Dimethyl-4-trifluoromethylsulfanyl-phenol; 4-Trifluoromethylmercapto-2,3-dimethylphenol;

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2,3-dimethyl-4-(trifluoromethylsulfanyl)phenol Basic Attributes

Molecular Weight：

222.22700

Exact Mass：

222.03262057

DSSTox ID：

DTXSID40563806

HScode：

2930909090

Characteristics

PSA：

45.53000

XLogP3：

3.62090

Density：

1.34g/cm3

Boiling Point：

199.9ºC at 760 mmHg

Flash Point：

74.7ºC

Refractive Index：

1.521

Vapor Pressure：

0.235mmHg at 25°C

Safety Information

hazard class code：

R20/21/22

safety instructions：

S26

Computed Properties

Molecular Weight:222.23
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:222.03262057
Monoisotopic Mass:222.03262057
Topological Polar Surface Area:45.5
Heavy Atom Count:14
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-dimethyl-4-(trifluoromethylsulfanyl)phenol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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