4-Amino-2-fluorobenzoic acid

Basic Information

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CAS Number

446-31-1

Molecular Formula

C7H6FNO2

Molecular Weight

155.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

210 °C (dec.)

Boiling Point

336.1℃ at 760 mmHg

Density

1.43 g/cm3

Flash Point

157℃

Refractive Index

1.606

SMILES

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C1=CC(=C(C=C1N)F)C(=O)O

InChI

InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey

QHERSCUZBKDVOC-UHFFFAOYSA-N

LogP

1.1061

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

163

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-fluoro-4-aminobenzoic acid
QHERSCUZBKDVOC-UHFFFAOYSA-N
4-amino-2-fluoro-benzoic acid
SB37217
4-Amino-2-fluorobenzoicacid
BENZOIC ACID, 4-AMINO-2-FLUORO-
4-amino-2-fluorobenzenecarboxylic acid
SCHEMBL101125
8T-0213
4-Amino-2-fluorobenzoic acid
4-Amino-2-fluorobenzoic acid, 97%
HY-W007847
4-amino-2-fluoro benzoic acid
J-514329
EN300-101502
AC-985
446-31-1
FT-0600573
DTXSID00307208
2-Fluor-4-amino-benzoesaure
AB2615
AM20060110
NSC-190362
CHEMBL3278353
AKOS005071415
NSC190362
Z851819874
CS-W007847
A1700
MFCD01569397
SY008893

MDL Number

MFCD01569397

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 4-Amino-2-fluorobenzoic acid (CAS: 446-31-1)?

4-Amino-2-fluorobenzoic acid (CAS: 446-31-1) is a white crystalline solid with a molecular weight of approximately 187.03 g/mol. It is slightly soluble in water and has a pKa of about 4.1. The compound shows moderate reactivity, particularly with strong acids and bases. It is often used in organic synthesis due to its functional groups.

How is 4-Amino-2-fluorobenzoic acid (CAS: 446-31-1) typically synthesized?

4-Amino-2-fluorobenzoic acid (CAS: 446-31-1) can be synthesized via a multi-step process involving the fluorination of benzoic acid followed by aminoation. Common methods include the use of fluorine gas in the presence of a Lewis acid catalyst, followed by reaction with an amine in the presence of a suitable base. The yield and selectivity can be enhanced by optimizing reaction conditions.

What industries use 4-Amino-2-fluorobenzoic acid (CAS: 446-31-1)?

4-Amino-2-fluorobenzoic acid (CAS: 446-31-1) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the production of dyes and pigments, as well as in materials science for its unique chemical properties.

What precautions should be taken when handling 4-Amino-2-fluorobenzoic acid (CAS: 446-31-1)?

When handling 4-Amino-2-fluorobenzoic acid (CAS: 446-31-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, dispose of it according to safety data sheet (SDS) guidelines and ensure proper ventilation during handling.