Methyl 3,5-dibromo-4-methylbenzoate

Basic Information

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CAS Number

74896-66-5

Molecular Formula

C9H8Br2O2

Molecular Weight

307.97 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

86.0 to 90.0 deg-C

Boiling Point

314°C at 760 mmHg

Density

1.75

Flash Point

143.7°C

Refractive Index

1.575

SMILES

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

InChI

InChI=1S/C9H8Br2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3

InChIKey

SRLAXDDPVYZYNI-UHFFFAOYSA-N

LogP

3.3066200000000014

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

184

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

Methyl 3,5-Dibromo-p-toluate
3,5-Dibromo-p-toluic Acid Methyl Ester
D2871
SCHEMBL1070461
PS-7095
3,5-Dibromo-4-methyl-benzoic acid methyl ester
A838256
methyl 3,5-dibromo-4-methyl-benzoate
CS-0179383
FT-0614519
InChI=1/C9H8Br2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H
DTXSID10347630
AKOS005133995
Methyl 3,5-dibromo-4-methylbenzoate
3,5-Dibromo-4-methylbenzoic Acid Methyl Ester
BB 0246906
MFCD00010729
74896-66-5
3,5-Dibromo-4-methylbenzoic acid methyl ester
SRLAXDDPVYZYNI-UHFFFAOYSA-N
PubChem4611
METHYL3,5-DIBROMO-4-METHYLBENZOATE
ZERENEX E/9072914
STL119724
BBL018957
KM1651
AS03651
BC00

MDL Number

MFCD00010729

Customs Code

2916399090

FAQ

What is Methyl 3,5-dibromo-4-methylbenzoate (CAS: 74896-66-5)?

Methyl 3,5-dibromo-4-methylbenzoate is an organic compound with the CAS number 74896-66-5. It has a molecular formula of C9H7Br2O2 and is characterized by its distinctive odor. This compound is used in pharmaceuticals and as a reagent in organic synthesis.

What are the main uses of Methyl 3,5-dibromo-4-methylbenzoate (CAS: 74896-66-5)?

Methyl 3,5-dibromo-4-methylbenzoate is primarily used as a pharmaceutical intermediate and a reagent in organic synthesis. It plays a crucial role in the development of certain drugs and as a catalyst in various chemical reactions.

Is Methyl 3,5-dibromo-4-methylbenzoate (CAS: 74896-66-5) safe?

Methyl 3,5-dibromo-4-methylbenzoate can be hazardous if not handled properly. It is important to follow safety guidelines, wear appropriate protective equipment, and ensure good ventilation. Exposure to this compound may cause irritation to the skin and eyes, and ingestion can be toxic.

How should Methyl 3,5-dibromo-4-methylbenzoate (CAS: 74896-66-5) be stored?

Methyl 3,5-dibromo-4-methylbenzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. Proper storage conditions are essential to maintain its stability and safety.