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4-methylsulfanyl-3-(trifluoromethyl)aniline

4-methylsulfanyl-3-(trifluoromethyl)aniline structure

CAS No:
63094-56-4
Formula:
C8H8F3NS
Chemical Name:
4-methylsulfanyl-3-(trifluoromethyl)aniline
Synonyms:
4-(methylsulfanyl)-3-(trifluoromethyl)aniline; 4-Methylthio-3-trifluormethylanilin; 4-methylthio-3-(trifluoromethyl)aniline; 3-(trifluoromethyl)-4-(methylthio)aniline; 4-methylsulfanyl-3-trifluoromethyl-phenylamine;

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4-methylsulfanyl-3-(trifluoromethyl)aniline Basic Attributes

Molecular Weight：

207.21600

Exact Mass：

207.03295492

DSSTox ID：

DTXSID00619818

HScode：

2930909090

Characteristics

PSA：

51.32000

XLogP3：

3.59070

Density：

1.328 g/cm3

Melting Point：

58-60ºC

Boiling Point：

266.451ºC at 760 mmHg

Flash Point：

114.946ºC

Refractive Index：

1.528

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2811

hazard class code：

R20/21/22

safety instructions：

S26-S36-S37-S39

Marks：

Computed Properties

Molecular Weight:207.22
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:207.03295492
Monoisotopic Mass:207.03295492
Topological Polar Surface Area:51.3
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-methylsulfanyl-3-(trifluoromethyl)aniline

Basic Attributes
Characteristics
Safety Information
Computed Properties

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