Methyl 5-bromo-2-methylbenzoate

Basic Information

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CAS Number

79669-50-4

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

Melting Point

46.0 to 50.0 deg-C

Boiling Point

265°C

Water Solubility

Soluble in water.

SMILES

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

InChI

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

InChIKey

FDCYLMYCHALQJR-UHFFFAOYSA-N

LogP

2.5441200000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HY-W007619
J-522453
DTXSID20311504
NSC 243705
EN300-140469
SCHEMBL155514
5-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER
methyl 4-bromo-toluate
A839734
MFCD09839555
SY021478
AM20050409
NSC243705
AC-7746
AKOS014646447
A9924
BCP04196
M2542
5-bromo-2-methylbenzoic acid methyl ester
CS-W007619
5-Bromo-o-toluic Acid Methyl Ester
Z1259109206
FT-0652392
methyl 5-bromanyl-2-methyl-benzoate
Methyl 5-Bromo-2-methyl-benzoate
5-Bromo-2-methyl benzoic acid methyl ester
79669-50-4
methyl5-bromo-2-methylbenzoate
NSC-243705
TS-03250
Methyl 5-bromo-2-methylbenzoate

MDL Number

MFCD09839555

FAQ

What is Methyl 5-bromo-2-methylbenzoate (CAS: 79669-50-4)?

Methyl 5-bromo-2-methylbenzoate is a chemical compound with the CAS number 79669-50-4. It has the chemical formula C9H9BrO2 and is derived from benzoic acid with modifications. This compound is characterized by its aromatic structure with a bromine substituent and a methyl group attached to the aromatic ring.

What are the main uses of Methyl 5-bromo-2-methylbenzoate (CAS: 79669-50-4)?

Methyl 5-bromo-2-methylbenzoate is primarily used as an intermediate in the synthesis of other organic compounds. It finds applications in pharmaceuticals for intermediate steps in drug synthesis, and in the chemical industry for the production of dyes, plastics, and other organic materials. It is also used in research for developing new chemical compounds.

Is Methyl 5-bromo-2-methylbenzoate (CAS: 79669-50-4) safe?

Methyl 5-bromo-2-methylbenzoate can be handled safely with appropriate precautions. It is important to avoid skin contact and inhalation. Protective measures include wearing gloves, goggles, and a lab coat. Adequate ventilation should be maintained during handling. Storage and use should be in a well-ventilated area, away from heat and sources of ignition.

How should Methyl 5-bromo-2-methylbenzoate (CAS: 79669-50-4) be stored?

Methyl 5-bromo-2-methylbenzoate should be stored in a cool, dry, and well-ventilated area, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should not exceed 25°C. Avoid storing it with oxidizing agents or other reactive materials to prevent potential hazards.