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4-AMINO-3-HYDROXY-BENZONITRILE

4-AMINO-3-HYDROXY-BENZONITRILE structure

4-AMINO-3-HYDROXY-BENZONITRILE 

structure
  • CAS No:

    55586-26-0

  • Formula:

    C7H6N2O

  • Chemical Name:

    4-AMINO-3-HYDROXY-BENZONITRILE

  • Synonyms:

    4-Amino-3-hydroxybenzonitrile;4-amino-3-hydroxy-benzonitrile;2-amino-5-cyanophenol;Benzonitrile, 4-amino-3-hydroxy-;3-hydroxy-4-aminobenzonitrile;MFCD06657033;o-hydroxy-p-cyanoaniline;2-hydroxy-4-cyanoaniline;ACMC-1AMA3;4-cyano-2-hydroxyl aniline

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-AMINO-3-HYDROXY-BENZONITRILE Basic Attributes

134.14

134.048019

DTXSID50436597

2926909090

Characteristics

70

0.6

1.3±0.1 g/cm3

149-150 °C

314.1°C at 760 mmHg

143.8±26.5 °C

1.644

Safety Information

3439

6.1

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-AMINO-3-HYDROXY-BENZONITRILE Use and Manufacturing

3-Hydroxy-4-nitrobenzonitrile (1.6 g, 9.6 mmol) was dissolved in a mixture of ethanol (40 mL) and N, N-dimethylformamide (20 mL) palladium hydroxide (30 mg) was added to the solution, and the resulting mixture was stirred overnight at room temperature under a hydrogen atmosphere.

Computed Properties

Molecular Weight:134.14
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:134.048012819
Monoisotopic Mass:134.048012819
Topological Polar Surface Area:70
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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