1-Bromo-4-chloro-2-nitrobenzene

Basic Information

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CAS Number

41513-04-6

Molecular Formula

C6H3BrClNO2

Molecular Weight

236.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

67.0 to 71.0 deg-C

Boiling Point

242.5°C at 760 mmHg

Flash Point

100.5°C

Refractive Index

1.6110 (estimate)

SMILES

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C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H

InChIKey

UKTIMFAJRPSNGR-UHFFFAOYSA-N

LogP

3.53390

Complexity

161

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Bromo-5-chloronitrobenzene
1-bromo-4-chloro-2-nitro-benzene
1-bromo-4-chloronitrobenzene
1-Bromo-4-chloro-2-nitrobenzene
EN300-66036
B5696
2-Brom-5-chlornitrobenzol
AC-26063
41513-04-6
1-bromo-2-nitro-4-chloro-benzene
AKOS005145854
2-bromo-5-chloro-nitrobenzene
UKTIMFAJRPSNGR-UHFFFAOYSA-N
NS00030996
SY020713
Z855735496
4-Bromo-3-nitrochlorobenzene;1-Bromo-2-nitro-4-chlorobenzene;3-chloro-6-bromonitrobenzene
FT-0611478
PB48086
BENZENE, 1-BROMO-4-CHLORO-2-NITRO-
AS-17853
CS-W002148
AMY28493
SCHEMBL165577
EINECS 255-421-4
TD1113
Bromo-4-chloro-2-nitrobenzene
A20738
1-bromo4-chloro-2-nitro-benzene
1-Bromo-4-chloro-2-nitrobenzene, 97%
DTXSID00194397

MDL Number

MFCD00024320

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6)?

1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6) is a crystalline solid with a molecular weight of approximately 247.01 g/mol. It has a melting point of 60-61°C and is only slightly soluble in water. This compound is reactive towards nucleophiles, making it useful in various organic synthesis reactions.

How is 1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6) typically synthesized?

1-Bromo-4-chloro-2-nitrobenzene can be synthesized through the bromination of 4-chloro-2-nitrobenzene using bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction typically yields a mixture that can be purified by recrystallization.

What industries use 1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6)?

1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6) is primarily used in pharmaceuticals for the synthesis of certain intermediates. It also finds applications in the production of dyes and as a precursor in the manufacturing of organic semiconductors.

What precautions should be taken when handling 1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6)?

When handling 1-Bromo-4-chloro-2-nitrobenzene (CAS: 41513-04-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during preparation and storage. Spills should be managed carefully, and proper disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines.