2-Amino-5-cyano-3-methylbenzoic acid

Basic Information

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CAS Number

871239-18-8

Molecular Formula

C9H8N2O2

Molecular Weight

165.19 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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Cc1cc(cc(c1N)C(=O)O)C#N

InChI

InChI=1S/C9H8N2O2/c1-5-2-6(4-10)3-7(8(5)11)9(12)13/h2-3H,11H2,1H3,(H,12,13)

InChIKey

FYPIIMYXBCWBPQ-UHFFFAOYSA-N

LogP

1.5838400000000001

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Synonyms & References

English

2-amino-5-cyano-3-methylbenzoic Acid

MDL Number

MFCD17170401

FAQ

What is 2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8)?

2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8) is an organic compound with the molecular formula C9H7NO3. It is a benzene derivative with a cyano group, amino group, and a methyl substituent. This compound is often used in pharmaceutical and chemical research due to its unique chemical properties.

What are the main uses of 2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8)?

2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8) is primarily used in research for synthesizing other compounds and in the pharmaceutical industry as an intermediate in the production of certain drugs. It is also utilized in the development of pesticides and dyes.

Is 2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8) safe?

2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8) is safe when handled properly. However, it should be used with caution as it may cause skin irritation. Protective measures such as gloves and safety goggles are recommended. It is important to follow all safety guidelines and storage instructions to ensure safe handling.

How should 2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8) be stored?

2-Amino-5-cyano-3-methylbenzoic acid (CAS: 871239-18-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture and light exposure. Proper ventilation is also recommended during storage to ensure safety and maintain product quality.