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4-(Trifluoromethyl)benzonitrile

4-(Trifluoromethyl)benzonitrile structure

CAS No:
455-18-5
Formula:
C8H4F3N
Chemical Name:
4-(Trifluoromethyl)benzonitrile
Synonyms:
Benzonitrile,4-(trifluoromethyl)-;p-Tolunitrile,α,α,α-trifluoro-;4-(Trifluoromethyl)benzonitrile;p-(Trifluoromethyl)benzonitrile;p-Cyanobenzotrifluoride;p-(Trifluoromethyl)cyanobenzene;α,α,α-Trifluoro-p-tolunitrile;4-Cyano-α,α,α-trifluorotoluene;NSC 88340;4-Trifluoromethyl-1-cyanobenzene;4-Cyanobenzotrifluoride
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to light yellow crystal powder

4-(Trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

171.12

Exact Mass：

171.12

BRN：

2046478

EC Number：

207-239-1

NSC Number：

88340

DSSTox ID：

DTXSID5060015

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

2.9

Density：

1.2784 g/cm³ @ Temp: 20 °C

Melting Point：

36-37 °C @ Solvent: Hexane

Boiling Point：

80-81 °C @ Press: 20 Torr

Flash Point：

161 °F

Refractive Index：

1.461

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

20/21/22-11

safety instructions：

36/37-45-36

Marks：

Xn,F

Hazard note：

Lachrymatory

Precautionary statement(s)：

P210-P280

Hazard Statements：

H228-H302 + H312 + H332

4-(Trifluoromethyl)benzonitrile Use and Manufacturing

Uses

Organic synthetic raw materials are important intermediates for the synthesis of drugs such as ambroxol hydrochloride. The raw material for organic synthesis is an important intermediate for the synthesis of ambroxol hydrochloride and other drugs.

Manufacturing Info：

Benzonitrile, 4-(trifluoromethyl)-: INACTIVE

Computed Properties

Molecular Weight:171.12
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Exact Mass:171.02958362
Monoisotopic Mass:171.02958362
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-(Trifluoromethyl)benzonitrile

shanghai jinghui industrial co.ltd Contact Supplier

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4 YRS

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Trifluoro-p-tolunitrile 99% colorless liquid JINGHUI

CAS No.: 455-18-5

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Trifluoro-p-tolunitrile

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Henan Lihao Chem Plant Limited Contact Supplier

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Trifluoro-p-tolunitrile 99% see COA kanbei

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Guide of 4-(Trifluoromethyl)benzonitrile

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

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