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4-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE

4-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE structure

CAS No:
70124-90-2
Formula:
C9H6F3NS
Chemical Name:
4-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE
Synonyms:
4-(Trifluoromethylthio)phenylacetonitrile;2-(4-((Trifluoromethyl)thio)phenyl)acetonitrile;Benzeneacetonitrile, 4-[(trifluoromethyl)thio]-;2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile;2-{4-[(Trifluoromethyl)Sulfanyl]Phenyl}Acetonitrile;2-(4-(trifluoromethylthio)phenyl)acetonitrile;2-[4-(trifluoromethylthio)phenyl]acetonitrile;2-(4-[(TRIFLUOROMETHYL)SULFANYL]PHENYL)ACETONITRILE;SCHEMBL350873;CTK5D1872

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4-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE Basic Attributes

Molecular Weight：

217.209

Exact Mass：

217.017303

DSSTox ID：

DTXSID30380706

HScode：

2930909090

Characteristics

PSA：

49.1

XLogP3：

2.80

Density：

1.3±0.1 g/cm3

Melting Point：

22-24 °C

Boiling Point：

218.5±40.0 °C at 760 mmHg

Flash Point：

86.0±27.3 °C

Refractive Index：

1.513

Safety Information

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38

safety instructions：

S26-S36

Marks：

Xi,T

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:217.21
XLogP3:3.6
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:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE

SDS

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