3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid

Basic Information

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CAS Number

391211-97-5

Molecular Formula

C13H7F3INO2

Molecular Weight

393.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

189-191°C

Solubility

Insuluble (1.2E-4 g/L) (25 ºC),

SMILES

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C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)O

InChI

InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20)

InChIKey

REMYZOSCCVDLDL-UHFFFAOYSA-N

LogP

4.150300000000001

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

361

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

BCP13952
CS-M1628
MFCD08690072
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino] benzoic acid
G00038820
SY105714
391211-97-5
SCHEMBL188505
3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid
DS-4075
BENZOIC ACID, 3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-
5A6V9RGK6M
FT-0668661
UNII-5A6V9RGK6M
REMYZOSCCVDLDL-UHFFFAOYSA-N
3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzoic acid
Cobimetinib metabolite (g00038820)
BDBM50391812
3 pound not4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid
2-(2-fluoro-4-iodophenylamino)-3,4-difluorobenzoic acid
CHEMBL2146885
3,4-Difluoro-2-((2-fluoro-4-iodophenyl)-amino)benzoic acid
C13H7F3INO2
3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoicacid
3,4-difluoro-2-(2-fluoro-4-iodo-anilino)benzoic acid;3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid
SB13172
2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID
3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic Acid
3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid
AKOS015948565
A824412

MDL Number

MFCD08690072

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5)?

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5) is a white crystalline solid with a molecular weight of approximately 406.05 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO and acetonitrile. The compound is known for its high reactivity due to the presence of fluoro and iodo substituents, making it prone to nucleophilic and electrophilic reactions.

How is 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5) typically synthesized?

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5) is typically synthesized via a multi-step process involving the reaction of an intermediate amine with 3,4-difluorobenzoic acid. Commonly used catalysts include palladium or rhodium complexes. The synthesis involves careful control of reaction conditions to achieve high yields and selectivity.

What industries use 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5)?

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5) is primarily used in the pharmaceutical industry for the development of new drugs. It also finds applications in materials science, particularly in the synthesis of advanced polymers and as a component in sensors and semiconductors.

What precautions should be taken when handling 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5)?

When handling 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid (CAS: 391211-97-5), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up with appropriate absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.