5-Amino-2-bromo-4-methylbenzoic acid

Basic Information

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CAS Number

745048-63-9

Molecular Formula

C8H8BrNO2

Molecular Weight

230.06 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

Boiling Point

380.2±42.0℃/760mmHg

SMILES

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CC1=CC(=C(C=C1N)C(=O)O)Br

InChI

InChI=1S/C8H8BrNO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)

InChIKey

WXEDVFCZCKWBCL-UHFFFAOYSA-N

LogP

2.0379199999999997

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

186

Synonyms & References

English

MFCD14706184
FT-0722294
VEB04863
5-Amino-2-bromo-4-methylbenzoicAcid
5-amino-2-bromo-4-methylbenzoic acid
3-Amino-6-bromo-4-methylbenzoic Acid
5-amino-2-bromo-4-methyl-benzoic acid
AMY28131
EN300-103283
A865878
AKOS016004619
DS-16070
SCHEMBL3686898
DTXSID60693452
SY035250
AC-29533
WXEDVFCZCKWBCL-UHFFFAOYSA-N
CHEMBL5010040
CS-0098738
Z1269183101
745048-63-9
1570AC
Z2065788426

MDL Number

MFCD14706184

FAQ

What are the physical and chemical properties of 5-Amino-2-bromo-4-methylbenzoic acid (CAS: 745048-63-9)?

5-Amino-2-bromo-4-methylbenzoic acid is a crystalline solid with a molecular weight of approximately 256.03 g/mol. It has a solubility of about 0.4 g/100 mL in water and is relatively stable under normal conditions. It reacts with acids and bases, and is used in various organic synthesis reactions.

How is 5-Amino-2-bromo-4-methylbenzoic acid (CAS: 745048-63-9) typically synthesized?

5-Amino-2-bromo-4-methylbenzoic acid is typically synthesized via a multi-step process involving bromination of 4-methylbenzoic acid followed by amidation. Common catalysts include triethylamine, and the overall yield is around 70-80%. The process requires controlled reaction conditions to ensure high selectivity and yield.

What industries use 5-Amino-2-bromo-4-methylbenzoic acid (CAS: 745048-63-9)?

5-Amino-2-bromo-4-methylbenzoic acid is primarily used in the pharmaceutical industry for the synthesis of certain drug compounds. It also finds applications in the polymer industry as a precursor for functional polymers, and in the sensor industry for developing specific chemical sensors.

What precautions should be taken when handling 5-Amino-2-bromo-4-methylbenzoic acid (CAS: 745048-63-9)?

When handling 5-Amino-2-bromo-4-methylbenzoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to prevent inhalation of vapors. In case of a spill, it should be cleaned up using proper spill containment procedures, and the material safety data sheet (MSDS) should be consulted for detailed instructions.