3-Bromo-5-chlorophenol

Basic Information

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CAS Number

56962-04-0

Molecular Formula

C6H4BrClO

Molecular Weight

207.45 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

66-70℃

Boiling Point

256°C (rough estimate)

Density

1.6027 (rough estimate)

Flash Point

110.075℃

Refractive Index

1.5730 (estimate)

SMILES

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C1=C(C=C(C=C1Cl)Br)O

InChI

InChI=1S/C6H4BrClO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey

GMGWXLPFRHYWAS-UHFFFAOYSA-N

LogP

2.8081000000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

99.1

Safety Information

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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

GMGWXLPFRHYWAS-UHFFFAOYSA-N
FT-0657153
DTXSID80627097
J-511998
CL8477
MFCD07780676
AKOS015834223
56962-04-0
CS-W005807
NS00002535
SY004712
3-Bromo-5-chlorophenol
SCHEMBL1178688
AC-3272
EN300-191959
Phenol, 3-bromo-5-chloro-
BCP11298
GS-4392
AB42547
AM20060819
EC 611-435-6
3-Bromo-5-Chlorophenol
2-AMINO-5-(2-PYRIDYL)-1,3,4-OXADIAZOLE
3-Brom-5-chlor-phenol
3-bromo-5-chloro-phenol
PubChem17565
KSC268S7H
STL556634
BBL102826
TRA0068089
RP26339

MDL Number

MFCD07780676

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 3-Bromo-5-chlorophenol (CAS: 56962-04-0)?

3-Bromo-5-chlorophenol (CAS: 56962-04-0) is a white to off-white crystalline solid with a molecular weight of approximately 227.01 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, particularly with nucleophiles, and can undergo electrophilic aromatic substitution reactions.

How is 3-Bromo-5-chlorophenol (CAS: 56962-04-0) typically synthesized?

3-Bromo-5-chlorophenol is typically synthesized by the bromination of 5-chlorophenol. This reaction is often catalyzed by iron(III) bromide, with a yield of around 85%. The reaction is selective towards the ortho position, making it a useful intermediate in organic synthesis.

What industries use 3-Bromo-5-chlorophenol (CAS: 56962-04-0)?

3-Bromo-5-chlorophenol (CAS: 56962-04-0) is used in the pharmaceutical industry for the synthesis of certain drugs and in the production of dyes and pigments. It is also utilized in the polymer industry for developing functional materials and in the sensor industry for its sensitivity to specific analytes.

What precautions should be taken when handling 3-Bromo-5-chlorophenol (CAS: 56962-04-0)?

When handling 3-Bromo-5-chlorophenol (CAS: 56962-04-0), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation of vapors. In case of a spill, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.