Basic information
- CAS
2000-40-0- Standard SMILES
NC(=O)NC(O)C(Cl)(Cl)Cl- InChIKey
VPENXVZFNXARIV-UHFFFAOYSA-N- Molecular formula
- C3H5Cl3N2O2
- Average molar mass
- 207.44 g/mol
- Monoisotopic mass
- 205.94166
Names & identifiers
- Preferred name
- N-(2,2,2-Trichloro-1-hydroxyethyl)urea
- IUPAC
- (2,2,2-trichloro-1-hydroxyethyl)urea
- English name
- Trichloro-ethylol-urea
- Molecular formula
- C3H5Cl3N2O2
- Molecular weight
- 207.44
Names & synonyms
2000-40-0N-(2,2,2-trichloro-1-hydroxyethyl)ureaRefChem:1090840(1-Hydroxy-2,2,2-trichloroethyl)ureaChloralureaMonochloralureaTrichloro-ethylol-ureaUrea, (2,2,2-trichloro-1-hydroxyethyl)-BRN 1769275AI3-02192Urea, (1-hydroxy-2,2,2-trichloroethyl)-NSC13182
Show more names
Urea, N-(2,2,2-trichloro-1-hydroxyethyl)-
1-03-00-00027 (Beilstein Handbook Reference)SCHEMBL9491195DTXSID701031273NSC 13182NSC-13182(2,2,2-trichloro-1-hydroxy-ethyl)urea1-(2,2,2-Trichloro-1-hydroxymethyl-urea)
Database identifiers
- CAS
2000-40-0- PubChem CID
- 95476
- DTXSID
DTXSID701031273- Nikkaji
- J802.117A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 20.8 °C · 20.8°C (estimate)
- Density
- 1.8698 · 1.8698 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- 11.18 · 11.18±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…