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2-Triflnoromethoxybenzylcyanide

2-Triflnoromethoxybenzylcyanide structure

CAS No:
137218-25-8
Formula:
C9H6F3NO
Chemical Name:
2-Triflnoromethoxybenzylcyanide
Synonyms:
2-Triflnoromethoxyphenylacetonitrile;2-(2-(trifluoromethoxy)phenyl)acetonitrile;2-(TRIFLUOROMETHOXY)BENZYL CYANIDE;2-(TRIFLUOROMETHOXY)PHENYLACETONITRILE;1(2-(TRIFLUOROMETHOXY)PHENYL)ACETONITRILE;2-(Trifluoromethoxy)phenylacetonitrile 98%;2-(Trifluoromethoxy)phenylacetonitrile98%;2-Triflnoromethoxybenzyl cyanide

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2-Triflnoromethoxybenzylcyanide Basic Attributes

Molecular Weight：

201.15

Exact Mass：

201.04014830

EC Number：

642-508-0

DSSTox ID：

DTXSID20380472

Characteristics

Density：

1.28 g/mL at 25 °C(lit.)

Boiling Point：

222-223 °C(lit.)

Refractive Index：

n20/D 1.449(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

22-23/24

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Danger|H301 (75%): 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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:201.14
XLogP3:2.8
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 2-Triflnoromethoxybenzylcyanide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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