Chloroacetylurea

Base Information

• Chemical Name: Chloroacetylurea
• CAS No.: 4791-21-3
• Molecular Formula: C3H5 Cl N2 O2
• Molecular Weight: 136.538
• Hs Code.: 2924210090
• European Community (EC) Number: 824-199-6
• NSC Number: 32857
• DSSTox Substance ID: DTXSID10197339
• Nikkaji Number: J49.097K
• Wikidata: Q83070229
• Mol file: 4791-21-3.mol

Synonyms:(2-chloro-acetyl)-urea;Chloroacetylurea;4791-21-3;N-carbamoyl-2-chloroacetamide;N-(Chloroacetyl)urea;(2-chloroacetyl)urea;Urea, (chloroacetyl)-;Acetamide, N-(aminocarbonyl)-2-chloro-;Urea, chloroacetyl-;NSC 32857;BRN 1758638;MFCD01676735;Acetamide, N-(aminocarbonyl)-2-chloro- (9CI);chloracetylurea;chloroacetyl urea;chloroacetyl-urea;Chloracetylharnstoff;NSC32857;(2-Chloroacetyl)-urea;WLN: ZVMV1G;Urea, (2-chloroacetyl)-;SCHEMBL19534;DTXSID10197339;NSC-32857;AKOS002255440;BS-28610;LS-159294;EN300-02061;J-500706;Z56851244;F2179-0006

Chemical Property of Chloroacetylurea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 72.19000
• Density: 1.419g/cm³
• LogP: 0.51130
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.0039551
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

(2-Chloro-acetyl)-urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)NC(=O)N)Cl

Technology Process of Chloroacetylurea

There total 5 articles about Chloroacetylurea 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%

chloroacetyl chloride (79-04-9) + urea (57-13-6) → (2-chloroacetyl)urea (4791-21-3)

Guidance literature:

In toluene; for 2h; Reflux;

Reference yield:

C3H4ClN2O2Pol → (2-chloroacetyl)urea (4791-21-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; solid phase reaction;

DOI:10.1021/co100020b

Reference yield:

2-chloroacetylisocyanate (4461-30-7) → (2-chloroacetyl)urea (4791-21-3)

Guidance literature:

With ammonia; In benzene;

upstream raw materials:

chloroacetic acid

urea

chloroacetyl chloride

2-chloroacetylisocyanate

Downstream raw materials:

(N,N-dibutyl-glycyl)-urea

carbon dioxide

pseudothiohydantoin

ethyl allophanate