methyl 4-bromo-3-methoxybenzoate

Basic Information

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CAS Number

17100-63-9

Molecular Formula

C9H9BrO3

Molecular Weight

245.07 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

Physical State

White to Yellow Solid

Melting Point

58-61

Boiling Point

306℃ at 760 mmHg

SMILES

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COC1=C(C=CC(=C1)C(=O)OC)Br

InChI

InChI=1S/C9H9BrO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3

InChIKey

XLKDKHRGIJWOSN-UHFFFAOYSA-N

LogP

2.2443

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

184

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

17100-63-9
BCP27162
MFCD08436018
EN300-760914
CS-W003510
J-522680
A3769
Methyl 4-bromo-3-methoxy-benzoate
AM84015
XLKDKHRGIJWOSN-UHFFFAOYSA-N
4-bromo-3-methoxy-benzoic acid methyl ester
methyl 4-bromo-3-methoxybenzoate
SCHEMBL426745
AKOS015835182
FS-3376
FT-0647997
AC-9314
DTXSID10561758
Benzoic acid, 4-bromo-3-methoxy-, methyl ester
SY022956
METHYL 4-BROMO-3-METHOXYBENZOATE
Benzoic acid,4-bromo-3-methoxy-, methyl ester
Methyl 4-broMo-2-hydroxbenzoate
2-Bromo-5-(methoxycarbonyl)anisole
4-BROMO-3-METHOXYBENZOIC ACID METHYL ESTER
2-Bromo-5-(methoxycarbonyl)anisole, Methyl 4-bromo-m-anisate
METHYL4-BROMO-3-METHOXYBENZOATE
Methyl 4-Bromo-m-anisate
PubChem16300
KSC495O2P
WT221

MDL Number

MFCD08436018

Customs Code

2918990090

FAQ

What is methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9)?

Methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9) is an organic compound with the formula C9H9BrO2. It is a derivative of benzoic acid, featuring a bromo and methoxy substituent. This compound is often used in the synthesis of pharmaceuticals and agrochemicals due to its functional groups.

What are the main uses of methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9)?

Methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9) is primarily used in the pharmaceutical and agrochemical industries for the preparation of intermediates. It serves as a key building block in the synthesis of various drugs and pesticides.

Is methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9) safe?

Methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9) is generally considered safe when handled with appropriate precautions. Users should wear personal protective equipment such as gloves and goggles. It is important to avoid inhalation and contact with skin and eyes. Spills should be cleaned up with care to prevent environmental contamination.

How should methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9) be stored?

Methyl 4-bromo-3-methoxybenzoate (CAS: 17100-63-9) 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 exposure to moisture and air. Avoid storing it near incompatible materials such as strong acids, bases, or reducing agents.