Ethyl 3-bromo-4-methylbenzoate

Basic Information

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CAS Number

147962-81-0

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 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

283.5±20.0 ºC (760 Torr),

Flash Point

125.2±21.8 ºC,

SMILES

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CCOC(=O)C1=CC(=C(C=C1)C)Br

InChI

InChI=1S/C10H11BrO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3

InChIKey

ILZQYNXOOLMOGA-UHFFFAOYSA-N

LogP

2.9342200000000016

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

182

Synonyms & References

English

3-Bromo-4-methyl-benzoic acid ethyl ester
MB09092
FT-0658950
SCHEMBL670944
A808715
Ethyl 3-bromo-4-methylbenzoate
Benzoic acid, 3-bromo-4-methyl-, ethyl ester
DTXSID60565862
147962-81-0
MFCD11042852
ILZQYNXOOLMOGA-UHFFFAOYSA-N
AKOS015843454
CS-0151794
Ethyl3-bromo-4-methylbenzoate
XFA96281
SY291399
D70717
FS-4502
benzoic acid, 3-bromo-4-methyl-, ethyl ester
3-bromo-4-methylbenzoic acid ethyl ester
Benzoic acid,3-bromo-4-methyl-, ethyl ester
ethyl 3-bromanyl-4-methyl-benzoate
AS03602
TL8007241

MDL Number

MFCD11042852

FAQ

What is Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0)?

Ethyl 3-bromo-4-methylbenzoate is an organic compound with the CAS number 147962-81-0. It is a derivative of benzoic acid with an ethyl group attached to the aromatic ring, a methyl group at the 4-position, and a bromine atom at the 3-position. This compound is used in various applications including pharmaceuticals and industrial processes due to its unique chemical properties.

What are the main uses of Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0)?

Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other compounds. It also finds applications in the dye and pigment industry, as a reagent in organic synthesis, and in the production of certain chemicals for industrial processes.

Is Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0) safe?

Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0) is generally considered safe when handled with proper precautions. It should be stored in a cool, dry place away from direct sunlight and heat sources. Protective equipment such as gloves and goggles should be worn during handling to prevent skin contact and eye irritation. Handling should be performed in a well-ventilated area to avoid inhalation of vapor.

How should Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0) be stored?

Ethyl 3-bromo-4-methylbenzoate (CAS: 147962-81-0) should be stored in a cool, dry place, preferably in a fume hood or a sealed container to minimize exposure to air and moisture. It should be kept away from direct sunlight and heat sources to prevent degradation. The container should be tightly sealed to maintain the integrity of the compound and to prevent contamination.