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3-(TRIFLUOROMETHOXY)BENZONITRILE

3-(TRIFLUOROMETHOXY)BENZONITRILE structure

CAS No:
52771-22-9
Formula:
C8H4F3NO
Chemical Name:
3-(TRIFLUOROMETHOXY)BENZONITRILE
Synonyms:
3-(TRIFLUOROMETHOXY)BENZONITRILE;M-TRIFLUOROMETHOXY BENZONITRILE;3-(Trifluoromethoxy)benzonitrile 97%;3-(Trifluoromethoxy)benzonitrile97%;3-(Trifluormethoxy)-benzonitril;3-(TRIFLUOROMETHOXYL)BENZONITRILE;3-Cyano-alpha,alpha,alpha-trifluoroanisole;3-(TirfluoroMethoxy)benzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

CLEAR VERY SLIGHTLY YELLOW LIQUID

3-(TRIFLUOROMETHOXY)BENZONITRILE Basic Attributes

Molecular Weight：

187.12

Exact Mass：

187.024506

BRN：

7201089

DSSTox ID：

DTXSID30200753

HScode：

2926909090

Characteristics

PSA：

XLogP3：

2.6

Appearance：

CLEAR VERY SLIGHTLY YELLOW LIQUID

Density：

1.3±0.1 g/cm3

Boiling Point：

178.1°C at 760 mmHg

Flash Point：

61.5±27.3 °C

Refractive Index：

1.461

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

36/37/38-20/21/22-36

safety instructions：

36/37/39-26-36/37-23-9

Marks：

Xn,T,Xi

Hazard note：

Toxic

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H317-H319

GHS Classification：

|Danger|H301 (28.57%): 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:187.12
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:187.02449824
Monoisotopic Mass:187.02449824
Topological Polar Surface Area:33
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-(Trifluoromethoxy)benzonitrile

CAS No.: 52771-22-9

Content: 99.00%

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3-(TRIFLUOROMETHOXY)BENZONITRILE

CAS No.: 52771-22-9

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Content: 98%

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Guide of 3-(TRIFLUOROMETHOXY)BENZONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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