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3-[(Trifluoromethyl)thio]benzeneacetonitrile

3-[(Trifluoromethyl)thio]benzeneacetonitrile structure

CAS No:
82174-09-2
Formula:
C9H6F3NS
Chemical Name:
3-[(Trifluoromethyl)thio]benzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3-[(trifluoromethyl)thio]-;3-[(Trifluoromethyl)thio]benzeneacetonitrile;2-[3-(Trifluoromethylsulfanyl)phenyl]acetonitrile;2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile

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3-[(Trifluoromethyl)thio]benzeneacetonitrile Basic Attributes

Molecular Weight：

217.209

Exact Mass：

217.21

DSSTox ID：

DTXSID70380705

HScode：

2930909090

Characteristics

PSA：

49.1

XLogP3：

3.36458

Density：

1.33g/cm3

Boiling Point：

215.7ºC at 760 mmHg

Flash Point：

84.2ºC

Refractive Index：

1.512

Safety Information

Transport codes：

UN 3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Computed Properties

Molecular Weight:217.21
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:217.01730486
Monoisotopic Mass:217.01730486
Topological Polar Surface Area:49.1
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(Trifluoromethyl)thio]benzeneacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-[(Trifluoromethyl)thio]benzeneacetonitrile

SDS

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