3-Bromo-5-fluorobenzoic acid

Basic Information

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CAS Number

176548-70-2

Molecular Formula

C7H4BrFO2

Molecular Weight

219.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

142.0 to 146.0 deg-C

Boiling Point

303.3℃ at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

137.3℃

SMILES

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C1=C(C=C(C=C1F)Br)C(=O)O

InChI

InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

InChIKey

KLSLJMGWUPAQGZ-UHFFFAOYSA-N

LogP

2.2864000000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AKOS005255018
3-bromo-5-fluoro benzoic acid
176548-70-2
AC-3910
Z406678876
Benzoic acid, 3-bromo-5-fluoro-
J-512014
3-Bromo-5-fluorobenzoic acid
3-fluoro-5-bromobenzoic acid
3-Bromo-5-fluorobenzoicacid
B3782
AB01333654-02
3-Bromo-5-fluorobenzoic acid, AldrichCPR
MFCD01569540
SY016894
DTXSID10378388
SCHEMBL560207
NCGC00341565-01
AM20061158
CS-W002790
PS-7899
AB09246
KLSLJMGWUPAQGZ-UHFFFAOYSA-N
FT-0643707
EN300-39998
3-bromo-5-fluoro-benzoic Acid
5-BROMO-3-FLUOROBENZOIC ACID
BUTTPARK 24\01-97
5-Bromo-3-Fluorobenzoic Acid 3-Fluoro-5-Bromobenzoic Acid
3-Bromo-5-fluorobenzoic
5-fluoro-3-bromobenzoic acid

MDL Number

MFCD01569540

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2)?

3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which requires specific hazard classification and labelling. In the European Union, it must comply with REACH regulations, which include registration, evaluation, authorization, and restriction of chemicals. For pharmaceutical and food-related applications, FDA and EPA guidelines apply, focusing on safety, purity, and environmental impact.

Are there alternatives to 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2) in synthesis?

There are several alternatives to 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2) in synthesis, such as 3-Chloro-5-fluorobenzoic acid and 3-Iodo-5-fluorobenzoic acid. These alternatives can serve similar functional groups in organic reactions. Common analogs include 3-Fluoro-5-bromobenzoic acid and 3-Chloro-5-bromobenzoic acid, which may offer different reactivity profiles depending on the specific synthetic pathway.

What is the market or research trend for 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2)?

The market for 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on developing novel derivatives and evaluating its potential in drug discovery. The increasing demand in the pharmaceutical industry for compounds with specific functional groups is driving market growth. Additionally, there is a trend towards sustainable and green chemistry approaches in its synthesis and use.

How should waste containing 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2) be handled?

Waste containing 3-Bromo-5-fluorobenzoic acid (CAS: 176548-70-2) should be collected in appropriate containers and stored in a well-ventilated area. Prior to disposal, it should be neutralized if acidic or basic, and then treated through incineration or professional waste disposal services. Environmental precautions include the use of personal protective equipment and ensuring that all waste is handled in compliance with local environmental regulations. Proper documentation of waste disposal is essential for regulatory compliance.