2-Aminoisophthalonitrile

Basic Information

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CAS Number

63069-52-3

Molecular Formula

C8H5N3

Molecular Weight

143.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

94-96 ºC

Boiling Point

320 ºC

Density

1.26

Flash Point

148 ºC

SMILES

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

InChI

InChI=1S/C8H5N3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,11H2

InChIKey

OEVXGSUDJYKUQX-UHFFFAOYSA-N

LogP

1.59336

Complexity

204

Synonyms & References

English

1,3-Benzenedicarbonitrile, 2-amino-
MFCD00052866
DS-5395
A24522
EN300-122276
2-aminoisophthalonitrile
AKOS005266589
CS-0035443
2-aminobenzene-1,3-dicarbonitrile
2,6-Dicyanoaniline
63069-52-3
FT-0659764
2-Amino-isophthalonitrile
AC-22911
DTXSID30448693
SCHEMBL2423501
2-Aminoisophthalonitrile
2-Amino-1,3-benzenedicarbonitrile

MDL Number

MFCD00052866

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Aminoisophthalonitrile (CAS: 63069-52-3)?

2-Aminoisophthalonitrile has a crystalline form with a molecular weight of approximately 169.08 g/mol. It is slightly soluble in water but more soluble in organic solvents like acetonitrile. The compound is reactive and can undergo nucleophilic substitution reactions. It is a white or off-white solid with a melting point of about 140-142°C.

How is 2-Aminoisophthalonitrile (CAS: 63069-52-3) typically synthesized?

2-Aminoisophthalonitrile is typically synthesized via the amination of isophthalonitrile using an appropriate amine and a suitable catalyst. Commonly, this involves the reaction of isophthalonitrile with ammonia in the presence of a strong acid catalyst such as hydrochloric acid, yielding a 90% to 95% yield.

What industries use 2-Aminoisophthalonitrile (CAS: 63069-52-3)?

2-Aminoisophthalonitrile finds applications in various industries. It is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer, and in the electronics industry for the production of sensors and semiconductors. Its versatility makes it a valuable intermediate in these sectors.

What precautions should be taken when handling 2-Aminoisophthalonitrile (CAS: 63069-52-3)?

When handling 2-Aminoisophthalonitrile, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent material, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.