Methyl 2-bromo-6-methylbenzoate

Basic Information

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CAS Number

99548-56-8

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

254.3℃ at 760 mmHg

SMILES

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CC1=C(C(=CC=C1)Br)C(=O)OC

InChI

InChI=1S/C9H9BrO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3

InChIKey

DDJSNWUTQDNGIZ-UHFFFAOYSA-N

LogP

2.5441200000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Synonyms & References

English

Methyl 2-bromo-6-methylbenzoate
J-521970
AKOS015890711
SB40378
CL8529
SCHEMBL833170
DTXSID10468677
AMY23083
DDJSNWUTQDNGIZ-UHFFFAOYSA-N
Methyl 2-bromo-6-methyl-benzoate
Benzoic acid, 2-bromo-6-methyl-, methyl ester
A856363
GS-4168
99548-56-8
MFCD09260938
Methyl2-bromo-6-methylbenzoate
CS-W004694
2-Bromo-6-methyl-benzoic acid methyl ester
SY046597
FT-0649271
2-Bromo-6-methylbenzoic acid methyl ester
BENZOIC ACID,2-BROMO-6-METHYL-,METHYL ESTER
KSC495M3L
CM12532
ST2413288
AB0027960
W9880
548M568
BE
methyl 2-bromo-6-methylbenzoate

MDL Number

MFCD09260938

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-6-methylbenzoate (CAS: 99548-56-8)?

Methyl 2-bromo-6-methylbenzoate is a crystalline solid with a molecular weight of approximately 251.1 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is also sensitive to moisture and should be stored in a desiccated environment to prevent hydrolysis.

How is methyl 2-bromo-6-methylbenzoate (CAS: 99548-56-8) typically synthesized?

Methyl 2-bromo-6-methylbenzoate is typically synthesized through a halo substitution reaction of methyl benzoate with bromine in the presence of a base like sodium hydroxide. The reaction is carried out in a solvent such as acetic acid. The process yields a high purity product with excellent selectivity and yields over 90%.

What industries use methyl 2-bromo-6-methylbenzoate (CAS: 99548-56-8)?

Methyl 2-bromo-6-methylbenzoate is used in various industries. It is a key intermediate in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the chemical industry as a starting material for making dyes and other organic compounds. Additionally, it is used in the polymer industry for the synthesis of certain polymers with specialized properties.

What precautions should be taken when handling methyl 2-bromo-6-methylbenzoate (CAS: 99548-56-8)?

When handling methyl 2-bromo-6-methylbenzoate, it is important to use personal protective equipment such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood due to its volatility and reactivity. Spills should be immediately cleaned up with appropriate absorbent materials and placed in a waste container for disposal. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.