N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide

Base Information

• Chemical Name: N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
• CAS No.: 13558-79-7
• Molecular Formula: C₉H₈BrClN₂O₂
• Molecular Weight: 291.532
• DSSTox Substance ID: DTXSID30407048
• Wikidata: Q82212269
• Mol file: 13558-79-7.mol

Synonyms:13558-79-7;N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide;N-{[(4-bromophenyl)amino]carbonyl}-2-chloroacetamide;1-(4-bromophenyl)-3-(2-chloroacetyl)urea;Acetamide,N-[[(4-bromophenyl)amino]carbonyl]-2-chloro-;N-((4-Bromophenyl)carbamoyl)-2-chloroacetamide;N-([(4-Bromophenyl)amino]carbonyl)-2-chloroacetamide;DTXSID30407048;AKOS001117014;CS-0233194;EN300-13166;Z90123297

Chemical Property of N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 58.20000
• Density: 1.689g/cm³
• LogP: 2.79990
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 289.94577
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

95% ^*data from raw suppliers

1-(4-Bromophenyl)-3-(2-chloroacetyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)NC(=O)CCl)Br

Technology Process of N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide

There total 2 articles about N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide 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:

4-bromophenylurea (1967-25-5) + chloroacetyl chloride (79-04-9) → PCM-0102308 (13558-79-7)

Guidance literature:

In benzene; Heating;

Reference yield:

2-chloroacetylisocyanate (4461-30-7) + 4-bromo-aniline (106-40-1) → PCM-0102308 (13558-79-7)

Guidance literature:

In benzene;

Reference yield: 88.0%

PCM-0102308 (13558-79-7) + o-tolyl-dithiocarbamic acid; sodium salt (53278-67-4) → o-Tolyl-dithiocarbamic acid 2-[3-(4-bromo-phenyl)-ureido]-2-oxo-ethyl ester

Guidance literature:

In acetone; for 2h; Heating;

upstream raw materials:

2-chloroacetylisocyanate

4-bromo-aniline

4-bromophenylurea

chloroacetyl chloride

Downstream raw materials:

N--N'-<4-brom-phenyl>-harnstoff

N--N'-<4-brom-phenyl>-harnstoff

N--N'-<4-brom-phenyl>-harnstoff

morpholine-4-carbodithioic acid 4-(4-bromo-phenyl)-allophanoylmethyl ester