3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol

Base Information

• Chemical Name: 3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol
• CAS No.: 84145-68-6
• Molecular Formula: C9H11ClN2O3
• Molecular Weight: 230.651
• European Community (EC) Number: 282-296-3
• DSSTox Substance ID: DTXSID10233069
• Nikkaji Number: J333.043E
• Wikidata: Q83114400

Synonyms:3-(4-Chloro-2-nitroanilino)-1-propanol;84145-68-6;EINECS 282-296-3;3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol;3-[(4-chloro-2-nitrophenyl)amino]propan-1-ol;3-[(4-chloro-2-nitrophenyl)amino]-1-propanol;3-(4-Chloro-2-nitro-phenylamino)-propan-1-ol;SCHEMBL2796146;DTXSID10233069;STK045457;AKOS000294277;3-(4-Chloro-2-nitroanilino)-1-propanol #;3-[(4chloro-2-nitrophenyl)amino]-1-propanol;3-[(4-chloro-2-nitrophenyl)-amino]-1-propanol;Propan-1-ol, 3-(4-chloro-2-nitrophenylamino)-;1-Propanol, 3-[(4-chloro-2-nitrophenyl)amino]-

Chemical Property of 3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol

Chemical Property:

• Vapor Pressure: 2.86E-08mmHg at 25°C
• Boiling Point: 433.1°Cat760mmHg
• Flash Point: 215.7°C
• Density: 1.413g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 230.0458199
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCCCO

Technology Process of 3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol

There total 2 articles about 3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol 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: 91.0%

2-fluoro-5-chloronitrobenzene (345-18-6) + propan-1-ol-3-amine (156-87-6) → 3-(4-chloro-2-nitro-anilino)-propan-1-ol (84145-68-6)

Guidance literature:

In dimethyl sulfoxide;

Reference yield:

propan-1-ol-3-amine (156-87-6) + 2,5-dichloronitrobenzene (89-61-2) → 3-(4-chloro-2-nitro-anilino)-propan-1-ol (84145-68-6)

Guidance literature:

With butan-1-ol;

DOI:10.1021/ja01258a013

Reference yield: 100.0%

3-(4-chloro-2-nitro-anilino)-propan-1-ol (84145-68-6) → 3-[(2-amino-4-chlorophenyl)amino]-1-propanol (62780-73-8)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; for 2h; Reflux;

upstream raw materials:

propan-1-ol-3-amine

2,5-dichloronitrobenzene

2-fluoro-5-chloronitrobenzene

Downstream raw materials:

3-[(2-amino-4-chlorophenyl)amino]-1-propanol

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