3-Amino-2,6-difluorobenzoic acid

Basic Information

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CAS Number

83141-11-1

Molecular Formula

C7H5F2NO2

Molecular Weight

173.12 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

Boiling Point

315.9°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C7H5F2NO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)

InChIKey

ORSUTLAFOCNIDY-UHFFFAOYSA-N

LogP

1.2452

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

188

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

AKOS012322935
SY046541
MFCD07368833
BB 0257438
AM62560
TS-02364
FT-0646585
J-511526
ORSUTLAFOCNIDY-UHFFFAOYSA-N
EN300-217750
CL8061
Z1079174670
Benzoic acid, 3-amino-2,6-difluoro-
83141-11-1
BCP09288
SCHEMBL670548
3-Amino-2,6-difluorobenzoic acid
CS-W021830
DTXSID20593444
3-AMINO-2,6-DIFLUOROBENZOIC ACID
3-amino-2,6-difluorobenzoic acid

MDL Number

MFCD07368833

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 3-Amino-2,6-difluorobenzoic acid (CAS: 83141-11-1)?

3-Amino-2,6-difluorobenzoic acid is a solid at room temperature. It has a molecular weight of approximately 215.06 g/mol and is slightly soluble in water. It is stable under normal conditions but can react with strong bases. This compound is commonly used in organic synthesis due to its functional groups and reactivity.

How is 3-Amino-2,6-difluorobenzoic acid (CAS: 83141-11-1) typically synthesized?

3-Amino-2,6-difluorobenzoic acid is typically synthesized via a multistep process involving the synthesis of 2,6-difluorobenzoic acid followed by amination. Commonly, this involves the reaction of 2,6-difluorobenzoic acid with an amine under basic conditions. The yield and selectivity are high, making it a practical method for industrial production.

What industries use 3-Amino-2,6-difluorobenzoic acid (CAS: 83141-11-1)?

3-Amino-2,6-difluorobenzoic acid is primarily used in pharmaceuticals, where it serves as an intermediate in the synthesis of various drugs. It is also applied in the production of polymers and other materials that require specific functional groups. Its use in sensors and semiconductors is also notable due to its chemical properties.

What precautions should be taken when handling 3-Amino-2,6-difluorobenzoic acid (CAS: 83141-11-1)?

When handling 3-Amino-2,6-difluorobenzoic acid, it is essential to wear 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. Spills should be cleaned up immediately following the manufacturer's safety data sheet (SDS) guidelines. Storage should be in a cool, dry place away from incompatible materials.