4-Bromo-3,5-dihydroxybenzoic acid

Basic Information

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CAS Number

16534-12-6

Molecular Formula

C7H5BrO4

Molecular Weight

233.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

274-276 °C

Boiling Point

387.1°C at 760 mmHg

Density

2.026

Flash Point

187.9℃

SMILES

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C1=C(C=C(C(=C1O)Br)O)C(=O)O

InChI

InChI=1S/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)

InChIKey

NUTRHYYFCDEALP-UHFFFAOYSA-N

LogP

1.5584999999999998

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

172

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Sensitiveness

Light Sensitive

Synonyms & References

English

PS-3390
B1425
END6EW7UYT
4-Bromo-3,5-resorcylic acid
.alpha.-Resorcylic acid, 4-bromo-
CS-W009490
NSC 151972
NSC151972
InChI=1/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12
A15282
4-bromo-3,5-dihydroxy-benzoic acid
BCP26950
MFCD00002513
BP-10130
AM780
alpha-Resorcylic acid, 4-bromo-
AB8348
4-Bromo-3,5-dihydroxybenzoic acid
Benzoic acid, 4-bromo-3,5-dihydroxy-
FT-0617851
EINECS 240-606-4
4-Bromo-3,5-dihydroxybenzoic acid, 99%
AKOS015888244
NS00025411
4-Bromo-alpha-resorcylic Acid
DTXSID6066076
EN300-310099
SY014326
3,5-dihydroxy-4-bromobenzoic acid
NSC-151972
4-Bromo-3,5-dihydroxybenzoicAcid

MDL Number

MFCD00002513

Customs Code

2918290000

FAQ

What regulatory guidelines apply to 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6)?

4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6) is subject to regulation under the Globally Harmonized System (GHS) for classification and labeling of chemicals, the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) in the EU, and the Toxic Substances Control Act (TSCA) in the U.S. by the EPA. It is also regulated by the FDA for any potential pharmaceutical applications. Compliance with local and national laws is essential for handling, storage, and transportation.

Are there alternatives to 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6) in synthesis?

There are several alternatives to 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6) in synthesis, including 3,5-Dihydroxybenzoic acid and 4-Chloro-3,5-dihydroxybenzoic acid. These compounds can serve as precursors or intermediates in similar reactions. Common alternative reagents include bromine and other halogenating agents, depending on the desired substitution pattern.

What is the market or research trend for 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6)?

The market for 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6) is driven by its use in pharmaceuticals, agrochemicals, and materials science. Research trends focus on its potential as a precursor for developing new drugs and as a component in environmentally friendly polymer formulations. Emerging applications in biocatalysis and enzyme-assisted synthesis are also gaining attention.

How should waste containing 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6) be handled?

Waste containing 4-Bromo-3,5-dihydroxybenzoic acid (CAS: 16534-12-6) should be collected in a sealed, labeled container and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended for handling hazardous materials. Proper environmental protection measures, such as wearing appropriate PPE and following safety protocols, are essential during waste handling and disposal.