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2,4-Difluoronitrobenzene

2,4-Difluoronitrobenzene structure

CAS No:
446-35-5
Formula:
C6H3F2NO2
Chemical Name:
2,4-Difluoronitrobenzene
Synonyms:
Benzene,2,4-difluoro-1-nitro-;2,4-Difluoro-1-nitrobenzene;1,3-Difluoro-4-nitrobenzene;2,4-Difluoronitrobenzene;1-Nitro-2,4-difluorobenzene;NSC 10259;1,5-Difluoro-2-nitrobenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

yellow liquid

2,4-Difluoronitrobenzene Basic Attributes

Molecular Weight：

159.09

Exact Mass：

159.09

BRN：

2048034

EC Number：

207-167-0

UNII：

6398Y1D7JS

NSC Number：

10259

DSSTox ID：

DTXSID0032869

HScode：

29049090

Characteristics

PSA：

45.8

XLogP3：

1.8

Appearance：

clear to yellowish liquid

Density：

1.5±0.1 g/cm3

Melting Point：

9.8 °C

Boiling Point：

207 °C

Flash Point：

195 °F

Refractive Index：

1.510

Water Solubility：

Insoluble in water.

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.331mmHg at 25°C

Vapor Density：

>1 (vs air)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 1

wgk germany：

hazard class code：

25-36/37/38-23/24/25-20/21/22

safety instructions：

26-45-36/37/39-23

RTECS Number：

CZ5730000

Marks：

T,Xi,Xn

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Incompatible with strong bases, strong oxidizing agents. Combustible.

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H319-H335

GHS Classification：

|Danger|H227: Combustible liquid [Warning Flammable liquids]|P210, P260, P262, P264, P270, P273, P280, P301+P310, P302+P350, P309+P311, P310, P321, P322, P330, P361, P363, P370+P378, P391, P403+P235, P405, and P501

Drug Information

MeSH Entry Terms：

1-nitro-2,4-difluorobenzene

2,4-Difluoronitrobenzene Use and Manufacturing

Methods of Manufacturing

Obtained by the nitration of m-difluorobenzene.

Uses

2,4-Difluoronitrobenzene has been used in the synthesis of: 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction; (±)-horsfiline; resin-bound 2-arylaminobenzimidazoles. Pharmaceutical intermediates. It is an intermediate for the drug flufenbuprofen, also used as an intermediate for pesticides and liquid crystal materials

Manufacturing Info：

Benzene, 2,4-difluoro-1-nitro-: ACTIVE

Computed Properties

Molecular Weight:159.09
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Exact Mass:159.01318466
Monoisotopic Mass:159.01318466
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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