3-Amino-4-hydroxybenzonitrile

Base Information

• Chemical Name: 3-Amino-4-hydroxybenzonitrile
• CAS No.: 14543-43-2
• Molecular Formula: C7H6N2O
• Molecular Weight: 134.137
• Hs Code.: 2926909090
• European Community (EC) Number: 688-387-8
• NSC Number: 114712
• DSSTox Substance ID: DTXSID90297205
• Nikkaji Number: J1.053.202G
• Wikidata: Q82038206
• Mol file: 14543-43-2.mol

Synonyms:3-amino-4-hydroxybenzonitrile;14543-43-2;2-Amino-4-cyanophenol;2-Amino-4-cyano-phenol;Benzonitrile, 3-amino-4-hydroxy-;MFCD00234273;3-Amino-4-hydroxy-benzonitrile;NSC114712;SCHEMBL101421;Benzonitrile,3-amino-4-hydroxy-;DTXSID90297205;ZEWCASRNRWXXSO-UHFFFAOYSA-N;5-CYANO-2-HYDROXY-ANILINE;AKOS005138419;CS-W021560;DS-2276;NSC-114712;PS-3112;BP-13315;SY015443;FT-0602710;EN300-97897;A21862;W-205624;Z425853908

Chemical Property of 3-Amino-4-hydroxybenzonitrile

Chemical Property:

• Vapor Pressure: 3.15E-05mmHg at 25°C
• Melting Point: 151-153℃
• Refractive Index: 1.643
• Boiling Point: 345.1 °C at 760 mmHg
• PKA: 7.63±0.18(Predicted)
• Flash Point: 162.5 °C
• PSA: 70.04000
• Density: 1.33 g/cm³
• LogP: 1.42728
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.048012819
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-cyano-phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: R20/21/22-36/37/38:
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)N)O

Technology Process of 3-Amino-4-hydroxybenzonitrile

There total 6 articles about 3-Amino-4-hydroxybenzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-hydroxy-3-nitrobenzonitrile (3272-08-0) → 3-amino-4-hydroxybenzonitrile (14543-43-2)

Guidance literature:

With hydrogen; In methanol; Pd on active carbon;

Reference yield: 100.0%

→ 3-amino-4-hydroxybenzonitrile (14543-43-2)

Guidance literature:

Reference yield: 73.0%

4-(Isopropylideneaminoxy)benzonitrile (16237-96-0) → 3-amino-4-hydroxybenzonitrile (14543-43-2) + 4-cyanophenol (767-00-0)

Guidance literature:

4-(Isopropylideneaminoxy)benzonitrile; With zirconium(IV) chloride; In benzene; for 9.5h; reflux;

With hydrogenchloride; In benzene;

DOI:10.1016/S0040-4039(01)00181-2

upstream raw materials:

4-hydroxy-3-nitrobenzonitrile

4-(Isopropylideneaminoxy)benzonitrile

4-cyanophenol

4-acetoxy-3-nitro-benzonitrile

Downstream raw materials:

2-amino-4-amidiniumphenolate dihydrate

2-mercaptobenzo[d]oxazole-5-carbonitrile

2-Bromo-N-(5-cyano-2-hydroxy-phenyl)-acetamide

N-(5-cyano-2-hydroxy-phenyl)-4-phenoxy-benzamide