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3,5-Bis(trifluoromethyl)benzeneacetonitrile

3,5-Bis(trifluoromethyl)benzeneacetonitrile structure

CAS No:
85068-32-2
Formula:
C10H5F6N
Chemical Name:
3,5-Bis(trifluoromethyl)benzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzeneacetonitrile;[3,5-Bis(trifluoromethyl)phenyl]acetonitrile;1-(Cyanomethyl)-3,5-bis(trifluoromethyl)benzene;2-(3,5-Bis(trifluoromethyl)phenyl)acetonitrile;1-Cyanomethyl-3,5-di(trifluoromethyl)benzene
Categories:
Organic Chemistry > Coordination Complexes

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Description

clear colorless to pale yellow liquid

3,5-Bis(trifluoromethyl)benzeneacetonitrile Basic Attributes

Molecular Weight：

253.14

Exact Mass：

253.14

BRN：

6810362

EC Number：

285-294-0

DSSTox ID：

DTXSID50234136

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.3

Density：

1.4±0.1 g/cm3

Flash Point：

>230 °F

Refractive Index：

1.414

Water Solubility：

Difficult to mix.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

Marks：

Xn,C,Xi

Hazard note：

Corrosive

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:253.14
XLogP3:3.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:253.03261814
Monoisotopic Mass:253.03261814
Topological Polar Surface Area:23.8
Heavy Atom Count:17
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Calcium chloride

Tetrahydrofuran

Ethyl acetate

Ethanol

Dimethyl sulfoxide

Thionyl chloride

Phosphorus tribromide

PETROLEUM ETHER

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CAS No.: 85068-32-2

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Guide of 3,5-Bis(trifluoromethyl)benzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
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3,5-Bis(trifluoromethyl)benzeneacetonitrile

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