O-(3,5-dichlorophenyl)hydroxylamine

Base Information

• Chemical Name: O-(3,5-dichlorophenyl)hydroxylamine
• CAS No.: 99907-90-1
• Molecular Formula: C6H5Cl2NO
• Molecular Weight: 178.018
• Hs Code.: 2922199090
• European Community (EC) Number: 970-774-0
• DSSTox Substance ID: DTXSID00471352
• Wikidata: Q82299845
• Mol file: 99907-90-1.mol

Synonyms:O-(3,5-dichlorophenyl)hydroxylamine;99907-90-1;3,5-Dichlorophenoxyamine;SCHEMBL4210449;DTXSID00471352;PCSYDOORDVYWPI-UHFFFAOYSA-N;AKOS006290319;DS-7300;Hydroxylamine, O-(3,5-dichlorophenyl)-;O-(3 pound not5-Dichlorophenyl)hydroxylamine;C77396;A858406

Chemical Property of O-(3,5-dichlorophenyl)hydroxylamine

Chemical Property:

• Boiling Point: 277.3±40.0 °C(Predicted)
• PKA: 1.17±0.70(Predicted)
• PSA: 35.25000
• Density: 1.429±0.06 g/cm3(Predicted)
• LogP: 2.94620
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.9748192
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

O-(3,5-Dichlorophenyl)hydroxylamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)ON

Technology Process of O-(3,5-dichlorophenyl)hydroxylamine

There total 4 articles about O-(3,5-dichlorophenyl)hydroxylamine 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: 92.0%

N-(3,5-dichlorophenoxy)phthalimide (849048-57-3) → O-(3,5-dichlorophenyl)hydroxylamine (99907-90-1)

Guidance literature:

With hydrazine hydrate; In methanol; chloroform; at 20 ℃; for 12h;

DOI:10.1021/jm049274d

Reference yield: 92.0%

→ O-(3,5-dichlorophenyl)hydroxylamine (99907-90-1)

Guidance literature:

Reference yield:

(3,5-dichlorophenyl)boronic acid (67492-50-6) → O-(3,5-dichlorophenyl)hydroxylamine (99907-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / CuCl; pyridine; molecular sieves 4A / 1,2-dichloro-ethane / 48 h / 20 °C

2: 92 percent / H₂NNH₂*H₂O / CHCl₃; methanol / 12 h / 20 °C

With pyridine; 4 A molecular sieve; hydrazine hydrate; copper(l) chloride; In methanol; chloroform; 1,2-dichloro-ethane;

DOI:10.1021/jm049274d

upstream raw materials:

N-(3,5-dichlorophenoxy)phthalimide

(3,5-dichlorophenyl)boronic acid

3,5-dichlorophenol

O-(2,4-dinitrophenyl)hydroxylamine

Downstream raw materials:

E-O-phenylbenzaldoxime