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3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE structure

CAS No:
108307-56-8
Formula:
C9H6F3NO
Chemical Name:
3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE
Synonyms:
3-(Trifluoromethoxy)phenylacetonitrile 98%;3-(Trifluoromethoxy)phenylacetonitrile98%;3-(TRIFLUOROMETHOXY)BENZYL CYANIDE;3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE;2-(3-(trifluoroMethoxy)phenyl)acetonitrile;3-Triflnoromethoxyphenylacetonitrile;3-(trifluoromethoxy)-Benzeneacetonitrile;2-[3-(trifluoroMethoxy)phenyl]ethanenitrile

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3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE Basic Attributes

Molecular Weight：

201.15

Exact Mass：

201.04014830 g/mol

DSSTox ID：

DTXSID20333746

Characteristics

PSA：

33 Å²

Density：

1.289±0.06 g/cm3

Boiling Point：

224.2±35.0 °C(Predicted)

Refractive Index：

1.448

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Danger|H301 (71.43%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:201.14
XLogP3:2.7
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-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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