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3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE

3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE structure

CAS No:
2145-31-5
Formula:
C9H6F3NO
Chemical Name:
3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE
Synonyms:
2-[3-(trifluoromethyl)phenoxy]acetonitrile;3-(Trifluoromethyl)phenoxyacetonitrile;2-(3-(Trifluoromethyl)phenoxy)acetonitrile;MFCD00052929;[3-(Trifluoromethyl)phenoxy]acetonitrile;2-[3-(trifluoromethyl)phenoxy]ethanenitrile;ACMC-1CLZA;SCHEMBL5666830;CTK4E6826;DTXSID20175729

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3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE Basic Attributes

Molecular Weight：

201.14500

Exact Mass：

201.04000

DSSTox ID：

DTXSID20175729

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

2.60778

Density：

1.282g/cm3

Boiling Point：

84°C 0,5mm

Flash Point：

82-84°C/0.5mm

Refractive Index：

1.461

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

R20/21/22

safety instructions：

S26-S36/37/39

Marks：

Xn:Harmful;

Computed Properties

Molecular Weight:201.14
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:201.04014830
Monoisotopic Mass:201.04014830
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE

SDS

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