4-Bromo-3,5-dimethoxybenzoic acid

Basic Information

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CAS Number

56518-42-4

Molecular Formula

C9H9BrO4

Molecular Weight

261.07 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

Melting Point

254-258 °C

Boiling Point

371.2 ºCat 760 mmHg

Density

1.571

Flash Point

178.3 ºC

SMILES

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COC1=CC(=CC(=C1Br)OC)C(=O)O

InChI

InChI=1S/C9H9BrO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,1-2H3,(H,11,12)

InChIKey

JNFZULSIYYVRJO-UHFFFAOYSA-N

LogP

2.1645

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

195

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

Synonyms & References

English

Z104510360
EN300-15138
4-Bromo-3,5-dimethoxybenzoicacid
InChI=1/C9H9BrO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,1-2H3,(H,11,12)
AM1079
DTXSID70378849
JNFZULSIYYVRJO-UHFFFAOYSA-
B2838
Benzoic acid, 4-bromo-3,5-dimethoxy-
56518-42-4
4-Bromo-3,5-dimethoxybenzoic acid
CS-W012498
SCHEMBL976822
AS-15609
FT-0653777
SY049076
FT-0640392
JNFZULSIYYVRJO-UHFFFAOYSA-N
MFCD01632140
4-Bromo-3,5-dimethoxybenzoic acid, 97%
AKOS001321234
zlchem 1334
ZLE0112
3,5-Dimethoxy-4-bromobenzoic acid
SBB064169
VZ28505
TRA0066463
Q030
TL8003656
ST2405619
ST50408618

MDL Number

MFCD01632140

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4)?

4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) in the European Union, and the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the United States. Compliance with these regulations is crucial for safe handling and disposal of the compound.

Are there alternatives to 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4) in synthesis?

There are several alternatives to 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4) in synthesis, including related brominated and methoxy-substituted compounds. Alternative reagents such as 3,5-dimethoxybenzoic acid or brominated analogs can be used as substitutes depending on the specific synthetic goals and requirements.

What is the market or research trend for 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4)?

The market for 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4) is driven by its applications in pharmaceuticals, agriculture, and research. Recent trends indicate increasing demand in the development of novel drug candidates and pest control agents. Emerging research is focusing on the synthesis and application of this compound in various industries.

How should waste containing 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4) be handled?

Waste containing 4-Bromo-3,5-dimethoxybenzoic acid (CAS: 56518-42-4) should be collected and handled according to local and national regulations. Proper storage and disposal methods include incineration or professional waste disposal services. It is essential to ensure that all waste management practices comply with environmental protection precautions to prevent contamination and harm to the environment.