Einecs 237-730-6

Base Information

• Chemical Name: Einecs 237-730-6
• CAS No.: 13949-49-0
• Molecular Formula: C13H10 Cl2 N2 O
• Molecular Weight: 281.141
• Hs Code.: 2928000090
• European Community (EC) Number: 237-730-6
• Nikkaji Number: J216.787E
• Mol file: 13949-49-0.mol

Synonyms:EINECS 237-730-6;13949-49-0;2'-Amino-2,5'-dichlorobenzophenone oxime

Chemical Property of Einecs 237-730-6

Chemical Property:

• Boiling Point: 464.4°Cat760mmHg
• Flash Point: 234.7°C
• PSA: 58.61000
• Density: 1.38g/cm³
• LogP: 4.38340
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 280.0170183
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=NO)C2=C(C=CC(=C2)Cl)N)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C(=N/O)/C2=C(C=CC(=C2)Cl)N)Cl

Technology Process of Einecs 237-730-6

There total 3 articles about Einecs 237-730-6 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: 27.4%

2',5-dichloro-2-iodobenzophenone (76049-50-8) → 2',5-Dichloro-2-aminobenzophenone oxime (13949-49-0)

Guidance literature:

With piperidine; hydroxylamine hydrochloride; In pyridine; for 20h; Heating;

DOI:10.1021/jo00176a015

Reference yield:

(2-amino-5-chloro-phenyl)-(2-chloro-phenyl)-methanone (2958-36-3,53960-29-5) → 2',5-Dichloro-2-aminobenzophenone oxime (13949-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) NaNO₂/HCl/aq. CH₃COOH, 2) aq. KI

2: 27.4 percent / NH₂OH*HCl, piperidine / pyridine / 20 h / Heating

With piperidine; hydrogenchloride; hydroxylamine hydrochloride; acetic acid; potassium iodide; sodium nitrite; In pyridine;

DOI:10.1021/jo00176a015

Reference yield:

→ 2',5-Dichloro-2-aminobenzophenone oxime (13949-49-0)

Guidance literature:

2-Amino-2',5-dichlor-benzophenon, NH2OH;

upstream raw materials:

2',5-dichloro-2-iodobenzophenone

(2-amino-5-chloro-phenyl)-(2-chloro-phenyl)-methanone

Downstream raw materials:

6-Chloro-4-(o-chlorophenyl)-1,2,3-benzotriazine 3-Oxide

2',5-Dichloro-2-iodobenzophenone (E)-Oxime

2,3'-Dichlorobenzophenone (Z)-Oxime