3-Bromo-5-hydroxy-4-methoxybenzoic acid

Basic Information

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CAS Number

52783-66-1

Molecular Formula

C8H7BrO4

Molecular Weight

247.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC1=C(C=C(C=C1Br)C(=O)O)O

InChI

InChI=1S/C8H7BrO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)

InChIKey

XKPMZMJYQDNWDG-UHFFFAOYSA-N

LogP

1.8615

Topological Polar Surface Area

66.75999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

197

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-Bromo-5-hydroxy-4-methoxybenzoic acid
MFCD23701476
3-bromo-5-hydroxy-4-methoxy benzoic acid
AKOS016009196
BDBM50405314
F19875
XKPMZMJYQDNWDG-UHFFFAOYSA-
DS-3704
CS-0041474
CHEMBL89826
DTXSID10513191
Benzoic acid, 3-bromo-5-hydroxy-4-methoxy-
CCA78366
3-Bromo-5-hydroxy-4-methoxybenzoicacid
FT-0699465
52783-66-1
InChI=1/C8H7BrO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
3-Bromo-5-hydroxy-4-methoxybenzoic
AGN-PC-00K4KP
AK107632
CTK1G2059
MolPort-022-398-160
7464AB
FCH2329295
3-Bromo-4-methoxy-5-hydroxybenzoic acid
AX8240638
ST24041918

MDL Number

MFCD23701476

FAQ

What are the physical and chemical properties of 3-Bromo-5-hydroxy-4-methoxybenzoic acid (CAS: 52783-66-1)?

3-Bromo-5-hydroxy-4-methoxybenzoic acid is a white crystalline solid with a molecular weight of 264.03 g/mol. It has a solubility of 0.037 g/L in water at 20°C. The compound is relatively stable but can undergo hydrolysis under basic conditions. It is a weak acid with a pKa of about 3.4.

How is 3-Bromo-5-hydroxy-4-methoxybenzoic acid (CAS: 52783-66-1) typically synthesized?

3-Bromo-5-hydroxy-4-methoxybenzoic acid can be synthesized via the bromination of 5-hydroxy-4-methoxybenzoic acid followed by protection of the hydroxyl group. Common methods include the use of N-bromosuccinimide (NBS) in an appropriate solvent such as acetone or dichloromethane. The yield depends on the purity of starting materials and reaction conditions.

What industries use 3-Bromo-5-hydroxy-4-methoxybenzoic acid (CAS: 52783-66-1)?

3-Bromo-5-hydroxy-4-methoxybenzoic acid is used in the pharmaceutical industry for the synthesis of various pharmaceuticals due to its structural complexity. It also finds applications in the chemical industry for sensor development and as an intermediate in the production of other organic compounds.

What precautions should be taken when handling 3-Bromo-5-hydroxy-4-methoxybenzoic acid (CAS: 52783-66-1)?

When handling 3-Bromo-5-hydroxy-4-methoxybenzoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of spills, use appropriate spill containment and clean up materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information.