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4-(Trifluoromethoxy)nitrobenzene

4-(Trifluoromethoxy)nitrobenzene structure

CAS No:
713-65-5
Formula:
C7H4F3NO3
Chemical Name:
4-(Trifluoromethoxy)nitrobenzene
Synonyms:
TIMTEC-BB SBB001666;4-nitrotrifluoromethoxybenzene;4-(trifluoromethoxy)nitrobebzene;4-(trifluoromrthoxy)nitrobebzene;4-(TRIFLUOROMETHOXY)NITROBENZENE;4-NITRO-1-TRIFLUOROMETHOXYBENZENE;P-NITRO (TRIFLUOROMETHOXY) BENZENE;1-NITRO-4-(TRIFLUOROMETHOXY)BENZENE;4-(Trifluoromethoxy)nitrobenzene98%;4-nitrophenyl trifluoroMethyl ether
Categories:
Agrochemicals > Pesticide Intermediates

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Description

Light yellow liquid

4-(Trifluoromethoxy)nitrobenzene Basic Attributes

Molecular Weight：

207.11

Exact Mass：

207.014328

BRN：

1966388

EC Number：

-0

DSSTox ID：

DTXSID10334944

HScode：

29093090

Characteristics

PSA：

XLogP3：

3.2

Density：

1.5±0.1 g/cm3

Melting Point：

15°C

Boiling Point：

87 °C

Flash Point：

87-89°C/15mm

Refractive Index：

1.476

Water Solubility：

Not miscible or difficult to mix in water.

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36-37-23

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-(Trifluoromethoxy)nitrobenzene Use and Manufacturing

Methods of Manufacturing

The preparation method is to fluorinate p-nitrophenol and carbon tetrachloride with HF to obtain 4-trifluoromethoxynitrobenzene. Hydrogen fluoride was introduced into a bomb reactor containing p-nitrophenol and carbon tetrachloride, and reacted with anhydrous SbF3 in the presence of SbCl5 catalyst. The mixture was stirred at 100°C for 2h under nitrogen flow, and then stirred at 150°C. That is, 4-trifluoromethoxynitrobenzene is obtained.

Uses

This product is used to synthesize 4-trifluoromethoxy aniline, an intermediate of chlorfenuron.

Computed Properties

Molecular Weight:207.11
XLogP3:3.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:207.01432748
Monoisotopic Mass:207.01432748
Topological Polar Surface Area:55
Heavy Atom Count:14
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon tetrachloride

Hydrofluoric acid

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Guide of 4-(Trifluoromethoxy)nitrobenzene

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Latest News
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4-(Trifluoromethoxy)nitrobenzene

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