1-Nitroso-1-(2-hydroxyethyl)-3-(2-chloroethyl)urea

Base Information

• Chemical Name: 1-Nitroso-1-(2-hydroxyethyl)-3-(2-chloroethyl)urea
• CAS No.: 96806-34-7
• Molecular Formula: C5H10 Cl N3 O3
• Molecular Weight: 195.63
• Hs Code.: 2924199090
• UNII: 0U3704S2KM
• DSSTox Substance ID: DTXSID5020994
• Wikidata: Q81983665
• Mol file: 96806-34-7.mol

Synonyms:1-nitroso-1-(2-hydroxyethyl)-3-(2-chloroethyl)urea;CHNU-I

Chemical Property of 1-Nitroso-1-(2-hydroxyethyl)-3-(2-chloroethyl)urea

Chemical Property:

• Refractive Index: 1.5810 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.49000
• Density: 1.45g/cm³
• LogP: 0.11490
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.0410689
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

1-Nitroso-1-(2-Hydroxyethyl)-3-(2-chloroethyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)NC(=O)N(CCO)N=O
• Uses: 1-Nitroso-1-(2-Hydroxyethyl)-3-(2-chloroethyl)urea has been used in the quantitative structure-activity relationship modeling of carcinogenicity of nitroso compounds.

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