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4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE structure

CAS No:
49561-96-8
Formula:
C9H6F3NO
Chemical Name:
4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE
Synonyms:
4-(Trifluoromethoxy)phenylacetonitrile; 2-(4-(Trifluoromethoxy)phenyl)acetonitrile; 2-[4-(trifluoromethoxy)phenyl]acetonitrile;
Categories:
Organic Chemistry > Coordination Complexes

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4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE Basic Attributes

Molecular Weight：

201.14500

Exact Mass：

201.04014830 g/mol

DSSTox ID：

DTXSID00197843

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

2.65128

Appearance：

clear yellow liquid

Density：

1.28

Melting Point：

30-33ºC

Boiling Point：

482.1ºC at 760 mmHg

Flash Point：

113ºC

Refractive Index：

1.448-1.45

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276

wgk germany：

hazard class code：

R20/21/22; R36/38

safety instructions：

S26-S36/37/39

Marks：

GHS Classification：

|Danger|H301 (11.11%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:201.14
XLogP3:3
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:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

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