Methyl 2-bromo-5-chlorobenzoate

Basic Information

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CAS Number

27007-53-0

Molecular Formula

C8H6BrClO2

Molecular Weight

249.49 g/mol

Basic Physical Properties

Melting Point

39.0 to 43.0 deg-C

Boiling Point

278.4℃ at 760 mmHg

Density

1.604

Water Solubility

Slightly soluble in water.

Flash Point

122.2℃

Refractive Index

1.564

SMILES

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

InChI

InChI=1S/C8H6BrClO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3

InChIKey

BIECSXCXIXHDBC-UHFFFAOYSA-N

LogP

2.889100000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

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

Synonyms & References

English

MFCD00144763
FT-0653503
methyl 2-bromo-5-chloro-benzoate
DTXSID70299702
CS-W007971
A818834
Benzoic acid, 2-bromo-5-chloro-, methyl ester
BIECSXCXIXHDBC-UHFFFAOYSA-N
NSC-132246
CL8528
SCHEMBL852809
2-Bromo-5-chlorobenzoic Acid Methyl Ester
PS-7498
NSC132246
methyl-2-bromo-5-chlorobenzoate
M2033
AMY613
AKOS005257845
Methyl 2-Bromo-5-chlorobenzoate
27007-53-0
SY018973
METHYL2-BROMO-5-CHLOROBENZOATE
Methyl 2-bromo-5-chlorobenzoate
2-Bomo-5-chlorobenzoic acid methyl ester
PubChem11238
KSC494Q3F
SBB068775
VZ32530
methyl 2-bromanyl-5-chloranyl-benzoate
TRA0072768
CS-W0

MDL Number

MFCD00144763

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-5-chlorobenzoate (CAS: 27007-53-0)?

Methyl 2-bromo-5-chlorobenzoate is a white crystalline solid with a molecular weight of approximately 266.04 g/mol. It is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. This compound is moderately reactive and can undergo substitution reactions, particularly with nucleophiles. It is also prone to hydrolysis under basic conditions.

How is Methyl 2-bromo-5-chlorobenzoate (CAS: 27007-53-0) typically synthesized?

Methyl 2-bromo-5-chlorobenzoate is typically synthesized from 2-chlorobenzoic acid and methyl bromide in the presence of a base such as potassium carbonate. The reaction involves the substitution of the hydroxyl group of the benzoic acid with a bromomethyl group, followed by the displacement of the chlorine atom by bromine. This process yields a high yield of the desired product with excellent selectivity.

What industries use Methyl 2-bromo-5-chlorobenzoate (CAS: 27007-53-0)?

Methyl 2-bromo-5-chlorobenzoate is used in the pharmaceutical industry for the synthesis of certain drugs, as a precursor in the polymer industry for the production of functional polymers, and in the sensor industry for the development of gas sensors. It is also used in the semiconductor industry for specific applications in photolithography and etching processes.

What precautions should be taken when handling Methyl 2-bromo-5-chlorobenzoate (CAS: 27007-53-0)?

When handling Methyl 2-bromo-5-chlorobenzoate, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight. In the event of a spill, it should be contained and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.