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4-Fluoro-3-(trifluoromethyl)benzonitrile

4-Fluoro-3-(trifluoromethyl)benzonitrile structure

CAS No:
67515-59-7
Formula:
C8H3F4N
Chemical Name:
4-Fluoro-3-(trifluoromethyl)benzonitrile
Synonyms:
3-(TRIFLUOROMETHYL)-4-FLUOROBENZONITRILE;5-CYANO-2-FLUOROBENZOTRIFLUORIDE;4-FLUORO-3-(TRIFLUOROMETHYL)BENZONITRILE;BUTTPARK 45\01-76;5-Cyano-2-fluorobenzotrifluoride~alpha,alpha,alpha,4-Tetrafluoro-m-tolunitrile;4-Fluoro-3-(Trifluromethyl)Benzonitrile;4-Fluoro-3-Trifluoromethylbenzonitrile 3-Trifluoromethyl-4-fluorobenzonitrile;à,à,à,4-tetrafluoro-m-tolunitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Yellow crystal

4-Fluoro-3-(trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

189.11

Exact Mass：

189.020157

BRN：

1960344

DSSTox ID：

DTXSID60217859

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.6

Appearance：

off white crystalline

Density：

1.4±0.1 g/cm3

Melting Point：

66 °C

Boiling Point：

194°C

Flash Point：

193-195°C

Refractive Index：

1.444

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-45-36-36/37-23-9

Marks：

T,Xi,Xn

Hazard note：

Toxic

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, 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.

4-Fluoro-3-(trifluoromethyl)benzonitrile Use and Manufacturing

Used in pharmaceutical intermediates

Computed Properties

Molecular Weight:189.11
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Exact Mass:189.02016175
Monoisotopic Mass:189.02016175
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Fluoro-3-(trifluoromethyl)benzonitrile

CAS No.: 67515-59-7

Content: 99.00%

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Guide of 4-Fluoro-3-(trifluoromethyl)benzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Fluoro-3-(trifluoromethyl)benzonitrile

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