Methyl 3-bromo-2-methylbenzoate

Basic Information

View in Editor

CAS Number

99548-54-6

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

140°C/21mmHg

Density

1.434

Flash Point

108.785℃

SMILES

View in Editor

CC1=C(C=CC=C1Br)C(=O)OC

InChI

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

InChIKey

MKQQTCSBXHAYQL-UHFFFAOYSA-N

LogP

2.5441200000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-Bromo-o-toluic Acid Methyl Ester
DTXSID20513208
BCP24540
SCHEMBL257409
EN300-211828
99548-54-6
AS-11290
Methyl 3-Bromo-o-toluate
CS-W005509
methyl3-bromo-2-methylbenzoate
methyl?3-bromo-2-methylbenzoate
FT-0663774
J-522152
MFCD09031772
AC-9419
METHYL 3-BROMO-2-METHYLBENZOATE
SY011043
MKQQTCSBXHAYQL-UHFFFAOYSA-N
3-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER
3-Bromo-2-methylbenzoic Acid Methyl Ester
M2543
AM82976
AKOS014882717
BENZOIC ACID, 3-BROMO-2-METHYL-, METHYL ESTER
BENZOIC ACID,3-BROMO-2-METHYL-, METHYL ESTER
Methyl 3-bromo-2-methylbenzoate
Benzoic acid, 3-bromo-2-methyl-, methyl ester
3-Bromo-2-methylbenzoic acid methyl ester
methyl 3-bromo-2-methylbenzoate

MDL Number

MFCD09031772

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6)?

Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6) is a solid at room temperature with a crystalline form. Its molecular weight is approximately 253.01 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and can undergo substitution reactions.

How is Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6) typically synthesized?

Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6) is typically synthesized using bromination of methyl 2-methylbenzoate. Common methods include the use of N-bromosuccinimide (NBS) under UV light or Br2 in the presence of a base. The yield is generally good, and the product can be purified by recrystallization.

What industries use Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6)?

Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the modification of polymer properties and in the semiconductor industry for sensor applications.

What precautions should be taken when handling Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6)?

When handling Methyl 3-bromo-2-methylbenzoate (CAS: 99548-54-6), use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Store the compound in a cool, dry place away from incompatible materials. In case of spill, handle according to the Material Safety Data Sheet (MSDS/SDS).