1-Bromo-2,3-dichlorobenzene

Basic Information

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CAS Number

56961-77-4

Molecular Formula

C6H3BrCl2

Molecular Weight

225.9 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

59.0 to 61.0 deg-C

Boiling Point

243°C

Density

1.6351 (rough estimate)

Flash Point

243°C

Refractive Index

1.5700 (estimate)

SMILES

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C1=CC(=C(C(=C1)Br)Cl)Cl

InChI

InChI=1S/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey

HVKCZUVMQPUWSX-UHFFFAOYSA-N

LogP

3.7559000000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

97.1

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

2,3-DICHLORO-1-BROMOBENZENE
EN300-23992
56961-77-4
2,3-Dichlorophenyl bromide
A4391
AKOS000121083
monobromodichlorobenzene
PS-10244
Benzene, bromodichloro-
InChI=1/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3
F14845
A8136
EINECS 260-476-2
B0980
Benzene, 1-bromo-2,3-dichloro-
FT-0609563
1-BROMO-2,3-DICHLOROBENZENE
MFCD00000536
AM61593
1-bromo-2,3-dichloro-benzene
DTXSID00205533
AC-26066
CS-W010435
NS00033614
PH6UG2P55N
1-Bromo-2,3-dichlorobenzene, 98%
SY040751
2,3-DICHLOROBROMOBENZENE
SCHEMBL221096
bromodichlorobenzene
1-Bromo-2,3-dichlorobenzene

MDL Number

MFCD00000536

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-2,3-dichlorobenzene (CAS: 56961-77-4)?

1-Bromo-2,3-dichlorobenzene is a white crystalline solid with a molecular weight of approximately 241.54 g/mol. It is poorly soluble in water but soluble in organic solvents like ether and chloroform. The compound is moderately reactive towards nucleophiles and electrophiles. It has a melting point of around 58-59°C and a boiling point of about 225-227°C under atmospheric pressure.

How is 1-Bromo-2,3-dichlorobenzene (CAS: 56961-77-4) typically synthesized?

1-Bromo-2,3-dichlorobenzene can be synthesized by bromination of 2,3-dichlorobenzene using a brominating agent like N-bromosuccinimide (NBS) in the presence of a peroxide initiator. This reaction is typically carried out in an inert atmosphere to prevent side reactions. The yield is generally around 80-90%, and the reaction is highly selective for the bromination at the meta position.

What industries use 1-Bromo-2,3-dichlorobenzene (CAS: 56961-77-4)?

1-Bromo-2,3-dichlorobenzene is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also utilized in the production of dyes, pesticides, and as a precursor in the manufacturing of polymers and sensors. The compound’s unique chemical structure makes it valuable in various applications requiring specific functional groups.

What precautions should be taken when handling 1-Bromo-2,3-dichlorobenzene (CAS: 56961-77-4)?

When handling 1-Bromo-2,3-dichlorobenzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, avoid direct contact and use appropriate containment materials to prevent dispersion. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.