2-Amino-5-bromobenzoic acid

Basic Information

View in Editor

CAS Number

5794-88-7

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

213-215 °C

Boiling Point

342.4°C at 760 mmHg

Flash Point

342.4 °C at 760 mmHg

Solubility

Soluble in methanol and dimethyl sulfoxide.

Refractive Index

1.6120 (estimate)

SMILES

View in Editor

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

InChI

InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey

CUKXRHLWPSBCTI-UHFFFAOYSA-N

LogP

1.7295

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

163

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

Sensitiveness

Light Sensitive

Synonyms & References

English

NS00033820
Benzoic acid, 2-amino-5-bromo-
EINECS 227-338-3
NSC 97201
PS-4918
5-Bromoanthranilic acid
Q27286937
CHEMBL1236103
5-bromo anthranilic acid
FT-0611148
5-Bromo-2-aminobenzoic acid
Cambridge id 5121811
4-14-00-01081 (Beilstein Handbook Reference)
A1254
DTXSID20206643
2-Amino-5-bromobenzoicacid
AC-2470
2-amino-5-bromo-benzoic acid
2-Amino-5-bromobenzoic acid
AM84133
BB 0244022
4-bromo-2-carboxyaniline
SMR000184444
STR02291
5-BROMOANTHRANILIC ACID [MI]
A-5100
AH-357/04348043
SX1
Anthranilic acid, 5-bromo-
UNII-Q30190723F
2-amino-5-bromo benzoic acid

MDL Number

MFCD00007823

Customs Code

2942000000

FAQ

What is 2-Amino-5-bromobenzoic acid (CAS: 5794-88-7)?

2-Amino-5-bromobenzoic acid (CAS: 5794-88-7) is a brominated aromatic carboxylic acid with the chemical formula C7H6BrNO2. It appears as a white crystalline solid and is characterized by its acidic properties due to the carboxylic group. The molecule contains an amino group at the 2-position and a bromo substituent at the 5-position on the benzene ring, making it a versatile intermediate in organic synthesis.

What are the main uses of 2-Amino-5-bromobenzoic acid (CAS: 5794-88-7)?

2-Amino-5-bromobenzoic acid (CAS: 5794-88-7) is primarily used in pharmaceutical research as a precursor for drug development, particularly in compounds targeting metabolic disorders. It also finds applications in industrial chemistry for dye and pesticide synthesis, and in organic research for studying brominated aromatic derivatives. Its unique structure supports utility in functional group modification and chemical derivatization.

Is 2-Amino-5-bromobenzoic acid (CAS: 5794-88-7) safe?

2-Amino-5-bromobenzoic acid (CAS: 5794-88-7) requires careful handling due to potential skin and eye irritation. It is classified as a hazardous substance under safety standards, necessitating the use of protective gloves, goggles, and a well-ventilated workspace. Always refer to safety data sheets (SDS) for proper disposal and avoid ingestion. While generally safe with appropriate measures, it may pose risks in high concentrations.

How should 2-Amino-5-bromobenzoic acid (CAS: 5794-88-7) be stored?

2-Amino-5-bromobenzoic acid (CAS: 5794-88-7) should be stored in a sealed, cool, and dry container, away from light and incompatible materials. It remains stable under normal conditions but is sensitive to moisture and heat. Storage at temperatures below 25°C is recommended to maintain its chemical integrity. Keep in a well-ventilated area and follow specific safety guidelines for handling hazardous chemicals.