2-Amino-5-cyanobenzoic acid

Basic Information

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CAS Number

99767-45-0

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1C#N)C(=O)O)N

InChI

InChI=1S/C8H6N2O2/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,10H2,(H,11,12)

InChIKey

HQNZNIJPAYTWJK-UHFFFAOYSA-N

Complexity

231

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SY253699
2-Amino-5-cyanobenzoicacid
DS-3636
Z1262514273
SCHEMBL634467
MFCD20485816
Benzoic acid, 2-amino-5-cyano-
CL9197
99767-45-0
AKOS016001712
2-Amino-5-cyanobenzoic acid
HQNZNIJPAYTWJK-UHFFFAOYSA-N
CS-W005229
DTXSID00434821
SB76085
EN300-151690
AK100858
6998AC
FCH1198559
OR400360
AB0049980
AX8241771
ST24021971
2-amino-5-cyanobenzoic acid

MDL Number

MFCD20485816

FAQ

What are the physical and chemical properties of 2-Amino-5-cyanobenzoic acid (CAS: 99767-45-0)?

2-Amino-5-cyanobenzoic acid is a crystalline compound with a molecular weight of approximately 179.08 g/mol. It has a melting point of 235-236°C and is slightly soluble in water. It reacts with bases to form salts and is prone to hydrolysis under acidic conditions. The compound is stable under normal conditions but should be handled with care due to its sensitivity to moisture and light.

How is 2-Amino-5-cyanobenzoic acid (CAS: 99767-45-0) typically synthesized?

2-Amino-5-cyanobenzoic acid can be synthesized through a multi-step process involving the coupling of 5-cyanobenzoic acid with an amine. Commonly, this involves reacting 5-cyanobenzoic acid with aniline using a coupling agent such as 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) and N-hydroxysuccinimide (NHS) in the presence of a base like triethylamine. The yield can be up to 90% with good selectivity.

What industries use 2-Amino-5-cyanobenzoic acid (CAS: 99767-45-0)?

2-Amino-5-cyanobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer, and in the sensor and semiconductor industries for specific applications. Its unique chemical properties make it valuable in these sectors for its functional groups and reactivity.

What precautions should be taken when handling 2-Amino-5-cyanobenzoic acid (CAS: 99767-45-0)?

When handling 2-Amino-5-cyanobenzoic acid, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid exposure to fumes. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.