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4-Fluoronitrobenzene

4-Fluoronitrobenzene structure

CAS No:
350-46-9
Formula:
C6H4FNO2
Chemical Name:
4-Fluoronitrobenzene
Synonyms:
Benzene,1-fluoro-4-nitro-;1-Fluoro-4-nitrobenzene;p-Nitrofluorobenzene;p-Fluoronitrobenzene;1-Nitro-4-fluorobenzene;4-Fluoronitrobenzene;4-Nitrofluorobenzene;4-Fluoro-1-nitrobenzene;4-Nitro-1-fluorobenzene;4-Nitrophenyl fluoride;NSC 10281;Para-fluoronitrobenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

yellow liquid

4-Fluoronitrobenzene Basic Attributes

Molecular Weight：

141.1

Exact Mass：

141.10

BRN：

606923

EC Number：

206-502-8

UNII：

A2M2FH7XHH

NSC Number：

10281

DSSTox ID：

DTXSID9022025

Color/Form：

YELLOW NEEDLES

HScode：

29049085

Characteristics

PSA：

45.8

XLogP3：

1.8

Appearance：

deep greenish-yellow Liquid After Melting

Density：

1.3300 g/cm³ @ Temp: 20 °C

Melting Point：

27 °C

Boiling Point：

206-207 °C

Flash Point：

182 °F

Refractive Index：

1.5302-1.5322

Water Solubility：

Insoluble in water.SOL IN ALCOHOL, ETHER; INSOL IN WATER

Storage Conditions：

Store below +30°C.

Vapor Pressure：

5.5 mm Hg ( 70 °C)

Vapor Density：

>1 (vs air)

Toxicity：

Oral-rat LDL0: 250 mg/kg

Flammability characteristics：

Open flame is flammable; burning produces toxic nitrogen oxides and fluoride fumes

Experimental Properties：

UV: 9648 (Sadtler Research Laboratories Spectral Collection) /Benzene, 1-fluoro-3-nitro/

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-33

safety instructions：

36-36/37

RTECS Number：

DA1400000

Marks：

Xn,T,Xi

Storage features：

Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives

Hazard note：

Toxic/Irritant

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P260, P261, P264, P270, P271, P272, P273, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P333+P313, P337+P313, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (38.3%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P311, P312, P314, P321, P322, P330, P333+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 95 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

YIELDS N-ACETYL-S-(P-NITROPHENYL)-L-CYSTEINE, P-FLUOROANILINE & P-NITROPHENOL IN RABBITS: BRAY & JAMES, BIOCHEM J 66: 45 (1957); BRAY ET AL, BIOCHEM J 68: 561 (1958). /FROM TABLE/

MeSH Entry Terms：

1-fluoro-2-nitrobenzene

4-Fluoronitrobenzene Use and Manufacturing

Methods of Manufacturing

It is obtained by nitration of mixed acid with fluorobenzene.

Uses

Used as medicine, pesticide and dye intermediate

Manufacturing Info：

Benzene, 1-fluoro-4-nitro-: ACTIVE

Computed Properties

Molecular Weight:141.10
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:141.02260653
Monoisotopic Mass:141.02260653
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Chloro-4-nitrobenzene

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