4-Bromo-2-fluorobenzoic acid

Basic Information

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CAS Number

112704-79-7

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

208.0 to 213.0 deg-C

Solubility

Solubility in methanol, very faint turbidity.

Refractive Index

1.4240 (estimate)

SMILES

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

InChI

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

InChIKey

ZQQSRVPOAHYHEL-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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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

B1950
4-bromo-2-fluorobenzenecarboxylic acid
4-Bromo-2-fluoro-benzoic acid
Enzalutamide impurity
PS-7898
J-002820
J-514650
2-Fluoro-4-bromobenzoic acid
CNX7NG4GG6
Benzoic acid, 4-bromo-2-fluoro-
FT-0617773
DTXSID60307209
AB03858
NSC-190364
SCHEMBL156346
Z106938872
112704-79-7
AC-1417
AKOS001274724
InChI=1/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
CS-M3187
ZQQSRVPOAHYHEL-UHFFFAOYSA-
4-Bromo-2-fluorobenzoicacid
SY001099
4-Bromo-2-fluorobenzoic acid
Enzalutamide EP impurity A
NS00015811
BP-11293
NCGC00337423-01
AM20061094
2-fluro-4-bromobenzoic acid

MDL Number

MFCD00143263

Customs Code

2916399090

FAQ

What is 4-Bromo-2-fluorobenzoic acid (CAS: 112704-79-7)?

4-Bromo-2-fluorobenzoic acid is an aromatic carboxylic acid with the chemical formula C7H5BrFO2. It contains both bromo and fluoro substituents on the benzene ring, making it a versatile intermediate in organic synthesis. This compound is known for its stability under normal conditions and is commonly used in chemical research for the development of new pharmaceuticals and materials.

What are the main uses of 4-Bromo-2-fluorobenzoic acid (CAS: 112704-79-7)?

4-Bromo-2-fluorobenzoic acid is primarily used in pharmaceutical research as a building block for drug development, particularly in the synthesis of anti-inflammatory and antifungal agents. It also finds applications in industrial chemistry for the production of dyes, agrochemicals, and specialty polymers. Its unique chemical structure makes it valuable in the creation of novel compounds for various research fields.

Is 4-Bromo-2-fluorobenzoic acid (CAS: 112704-79-7) safe?

4-Bromo-2-fluorobenzoic acid is considered hazardous due to its potential irritant and toxic properties. It should be handled with appropriate protective measures, such as gloves, goggles, and a fume hood. Safety standards recommend avoiding inhalation, skin contact, and ingestion. Always follow OSHA and EPA guidelines when working with this compound in a laboratory setting.

How should 4-Bromo-2-fluorobenzoic acid (CAS: 112704-79-7) be stored?

4-Bromo-2-fluorobenzoic acid should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container in a refrigerator at 2-8°C to maintain stability. Avoid exposure to moisture and incompatible materials. Proper storage helps preserve its chemical integrity and ensures safe handling.