4-Amino-2-hydroxybenzonitrile

Basic Information

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CAS Number

67608-58-6

Molecular Formula

C7H6N2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

376.2 °C at 760 mmHg

Density

1.33

Flash Point

181.3 °C

SMILES

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C1=CC(=C(C=C1N)O)C#N

InChI

InChI=1S/C7H6N2O/c8-4-5-1-2-6(9)3-7(5)10/h1-3,10H,9H2

InChIKey

JSZNEHKRXXALJZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

160

Synonyms & References

English

AKOS006328568
AB53481
4-AMINO-2-HYDROXYBENZONITRILE
Benzonitrile, 4-amino-2-hydroxy-
JSZNEHKRXXALJZ-UHFFFAOYSA-N
67608-58-6
FT-0650879
DS-11925
S10894
MFCD09839091
(1S,2R)-(-)-2-AMINOCYCLOHEX-3-ENECARBOXYLICACIDHYDROCHLORIDE
SCHEMBL2029743
CS-0044060
5-AMINO-2-HYDROXYBENZONITRILE
4-Amino-2-hydroxybenzonitrile
2-amine-4-hydroxybenzonitrile
2-hydroxy-4-aminobenzaldehyde
4-amino-2-hydroxy-benzonitrile
4-Amino-salicylaldehyd
4-aminosalicylaldehyde
4-aminosalicylic aldehyde
4-Aminosalicylonitril
4-Amino-salicylsaeurenitril
5-Amino-2-cyan-phenol
Benzaldehyde,4-amino-2-hydroxy
CM10121
AS06282
BC236841
AK321552

MDL Number

MFCD09839091

FAQ

What are the physical and chemical properties of 4-Amino-2-hydroxybenzonitrile (CAS: 67608-58-6)?

4-Amino-2-hydroxybenzonitrile is a white or off-white crystalline solid with a molecular weight of approximately 196.16 g/mol. It is slightly soluble in water and ethanol, and has a low solubility in non-polar solvents. Chemically, it is mildly reactive, particularly in the presence of bases or reducing agents.

How is 4-Amino-2-hydroxybenzonitrile (CAS: 67608-58-6) typically synthesized?

4-Amino-2-hydroxybenzonitrile is typically synthesized via the reaction of 2-hydroxybenzoyl chloride with ammonia in the presence of a base. The reaction is conducted in an aprotic solvent like dichloromethane, and yields are generally around 80-90%. The use of appropriate catalysts can enhance selectivity and reaction efficiency.

What industries use 4-Amino-2-hydroxybenzonitrile (CAS: 67608-58-6)?

4-Amino-2-hydroxybenzonitrile is used in the pharmaceutical industry for the synthesis of certain drug compounds. It also has applications in the production of dyes and pigments, and can be utilized in the development of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling 4-Amino-2-hydroxybenzonitrile (CAS: 67608-58-6)?

When handling 4-Amino-2-hydroxybenzonitrile, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be done in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed. Always consult the Safety Data Sheet (SDS) for detailed safety information.