4-Bromo-2-iodobenzoic acid

Basic Information

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CAS Number

1133123-02-0

Molecular Formula

C7H4BrIO2

Molecular Weight

326.91 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

183-186°C

Boiling Point

355.8℃ at 760 mmHg

Refractive Index

1.69

SMILES

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C1=CC(=C(C=C1Br)I)C(=O)O

InChI

InChI=1S/C7H4BrIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

InChIKey

JYNKVVLDGGRVFE-UHFFFAOYSA-N

LogP

2.751900000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

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

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

Synonyms & References

English

4-Bromo-2-iodobenzoic acid
4-Bromo-2-iodo-benzoic Acid
Benzoic acid, 4-bromo-2-iodo-
2-Iodo-4-bromobenzoic acid
4-Bromo-2-iodobenzoicacid
PubChem13466
2-Iodo-4-bromobenzoicacid
JYNKVVLDGGRVFE-UHFFFAOYSA-N
STL555225
CK1064
BBL101429
AM82916
AS00147
SY041365
BC003752
AB0030591
ST24043390
CS-0
CS-0067143
4-Bromo-2-iodo-benzoic acid;4-Bromo-2-iodobenzoic acid
AKOS005258610
SCHEMBL12302451
4-bromo-2-iodobenzoic acid
DTXSID20597987
AS-18832
4-Bromo-2-iodo-benzoic acid
AS-813/43501592
MFCD12767500
EN300-67484
Z607863674
1133123-02-0

MDL Number

MFCD12767500

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0)?

4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0) falls under various regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Regulatory bodies classify it based on its physical and chemical properties, including its bromine and iodine content, which may necessitate specific handling, storage, and disposal procedures.

Are there alternatives to 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0) in synthesis?

Alternatives to 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0) in synthesis include 4-bromobenzoic acid and 2-iodobenzoic acid, which can serve as precursors. Other synthetic routes might involve using isomers or analogs like 4-iodo-2-bromobenzoic acid, depending on the desired chemical properties and end-use of the product.

What is the market or research trend for 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0)?

The market for 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0) is driven by its use in pharmaceuticals, dyes, and reagents for analytical chemistry. Research trends focus on its potential applications in medicinal chemistry and organic synthesis. Demand is influenced by emerging fields like drug discovery and advanced material science, with ongoing studies exploring its reactivity and structural properties.

How should waste containing 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0) be handled?

Waste containing 4-Bromo-2-iodobenzoic acid (CAS: 1133123-02-0) should be collected in appropriate containers, labeled clearly, and stored in a secure, well-ventilated area. Incineration or professional waste disposal services are recommended, ensuring compliance with local environmental regulations. Proper precautions include wearing protective gear and following safety protocols to avoid exposure and environmental contamination.