1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-

Base Information

• Chemical Name: 1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-
• CAS No.: 62780-67-0
• Molecular Formula: C9H10 Cl2 N2 O3
• Molecular Weight: 265.096
• Hs Code.: 2922199090
• European Community (EC) Number: 263-726-9
• NSC Number: 141424
• UNII: 0G38IPM1I3
• DSSTox Substance ID: DTXSID8069644
• Nikkaji Number: J307.128F
• Wikidata: Q81996597
• Mol file: 62780-67-0.mol

Synonyms:62780-67-0;3-((4,5-Dichloro-2-nitrophenyl)amino)propan-1-ol;2-(3-Hydroxypropylamino)-4,5-dichloronitrobenzene;1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-;0G38IPM1I3;EINECS 263-726-9;1-Propanol, 3-((4,5-dichloro-2-nitrophenyl)amino)-;NSC-141424;3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol;3-[(4,5-dichloro-2-nitrophenyl)amino]-1-propanol;3-[(4,5-DICHLORO-2-NITROPHENYL)AMINO]PROPAN-1-OL;NSC141424;UNII-0G38IPM1I3;DTXSID8069644;SCHEMBL11101629;C21H28N2OS.C2H2O4;C9-H10-Cl2-N2-O3;AKOS017547700;NSC 141424;C21-H28-N2-O-S.C2-H2-O4;1-Propanol,5-dichloro-2-nitrophenyl)amino]-;3-(4,5-dichloro-2-nitroanilino)-1-propanol;3-[(4,5-dichloro2-nitrophenyl)amino]-1-propanol;3[(4,5-dichloro-2-nitrophenyl)amino]-1-propanol;10H-Phenothiazine-10-propanamine, 2-(1,1-dimethylethyl)-N,N-dimethyl-, 5-oxide, ethanedioate (1:1)

Chemical Property of 1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-

Chemical Property:

• Vapor Pressure: 1.58E-09mmHg at 25°C
• Boiling Point: 467.1°C at 760 mmHg
• Flash Point: 236.3°C
• PSA: 78.08000
• Density: 1.513g/cm³
• LogP: 3.29210
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.0068476
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-

There total 4 articles about 1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]- 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: 89.0%

1,2-dichloro-4-fluoro-5-nitrobenzene (2339-78-8) + propan-1-ol-3-amine (156-87-6) → 3-[(4,5-dichloro-2-nitrophenyl)amino]-1-propanol (62780-67-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 20 ℃;

DOI:10.1016/j.bmc.2017.07.037

Reference yield:

chloroform (67-66-3,8013-54-5) + 2,4,5-Trichloronitrobenzene (89-69-0) + propan-1-ol-3-amine (156-87-6) → 3-[(4,5-dichloro-2-nitrophenyl)amino]-1-propanol (62780-67-0)

Guidance literature:

With potassium iodide; In di-isopropyl ether; water; butan-1-ol;

Reference yield:

2,4,5-Trichloronitrobenzene (89-69-0) + propan-1-ol-3-amine (156-87-6) → 3-[(4,5-dichloro-2-nitrophenyl)amino]-1-propanol (62780-67-0)

Guidance literature:

DOI:10.1039/jr9510002225

upstream raw materials:

2,4,5-Trichloronitrobenzene

propan-1-ol-3-amine

chloroform

1,2-dichloro-4-fluoro-5-nitrobenzene