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4-Fluorobenzotrifluoride

4-Fluorobenzotrifluoride structure

CAS No:
402-44-8
Formula:
C7H4F4
Chemical Name:
4-Fluorobenzotrifluoride
Synonyms:
Benzene,1-fluoro-4-(trifluoromethyl)-;Toluene,p,α,α,α-tetrafluoro-;1-Fluoro-4-(trifluoromethyl)benzene;p-Fluorobenzotrifluoride;p-Fluoro(trifluoromethyl)benzene;α,α,α,p-Tetrafluorotoluene;4-Fluorobenzotrifluoride;p-(Trifluoromethyl)fluorobenzene;p,α,α,α-Tetrafluorotoluene;α,α,α,4-Tetrafluorotoluene;4-(Trifluoromethyl)fluorobenzene;4-Fluoro(trifluoromethyl)benzene;NSC 88289;4-Trifluoromethyl-1-fluorobenzene;4-Trifluoromethylphenyl fluoride;4-Fluoro-1-trifluoromethylbenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Clear colourless to light yellow liquid

4-Fluorobenzotrifluoride Basic Attributes

Molecular Weight：

164.1

Exact Mass：

164.10

BRN：

1909390

EC Number：

206-944-1

NSC Number：

88289

DSSTox ID：

DTXSID5059951

HScode：

2903999090

Characteristics

PSA：

XLogP3：

2.95

Appearance：

Clear colorless Liquid

Density：

1.3±0.1 g/cm3

Melting Point：

-41.7 °C

Boiling Point：

103.5 °C

Flash Point：

51 °F

Refractive Index：

1.406

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Refrigerator

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-33-24/25-7/9

Marks：

F,Xi,F+

Hazard note：

Flammable/Irritant

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

4-Fluorobenzotrifluoride Use and Manufacturing

Uses

Used as dye, pesticide, pharmaceutical intermediate

Manufacturing Info：

Benzene, 1-fluoro-4-(trifluoromethyl)-: INACTIVE

Computed Properties

Molecular Weight:164.10
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Exact Mass:164.02491278
Monoisotopic Mass:164.02491278
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Methylaniline

Sodium nitrite

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