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Basic Information
CAS No.: 2000-40-0
Name: Trichloro-ethylol-urea
Molecular Structure:
Molecular Structure of 2000-40-0 (Trichloro-ethylol-urea)
Formula: C3H5 Cl3 N2 O2
Molecular Weight: 207.444
Synonyms: Urea,(2,2,2-trichloro-1-hydroxyethyl)- (7CI,8CI,9CI);(2,2,2-Trichloro-1-hydroxyethyl)urea; Chloralurea; MCU; MCU (herbicide);Monochloralurea; N-(2,2,2-Trichloro-1-hydroxyethyl)urea; NSC 13182
Density: 1.732g/cm3
Boiling Point: 275.6°C at 760 mmHg
Flash Point: 120.5°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 75.35000
LogP: 1.43450
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Chemistry

Molecular Structure of (1-Hydroxy-2,2,2-trichloroethyl)urea (CAS NO. 2000-40-0):

IUPAC Name: (2,2,2-Trichloro-1-hydroxyethyl)urea   
Molecular Formula: C3H5Cl3N2O2
Molecular Weight: 207.443000 g/mol
XLogP3-AA: 0.3
H-Bond Donor: 3
H-Bond Acceptor: 2
Canonical SMILES: C(C(Cl)(Cl)Cl)(NC(=O)N)O
InChI: InChI=1S/C3H5Cl3N2O2/c4-3(5,6)1(9)8-2(7)10/h1,9H,(H3,7,8,10)
InChIKey: VPENXVZFNXARIV-UHFFFAOYSA-N
Index of Refraction: 1.566
Molar Refractivity: 39.11 cm3
Molar Volume: 119.7 cm3
Surface Tension: 63.5 dyne/cm
Density: 1.732 g/cm3
Flash Point: 120.5 °C
Enthalpy of Vaporization: 59.68 kJ/mol
Boiling Point: 275.6 °C at 760 mmHg
Vapour Pressure: 0.000632 mmHg at 25 °C
Water Solubility: 9113 mg/L at 25 °C
BRN of (1-Hydroxy-2,2,2-trichloroethyl)urea (CAS NO. 2000-40-0): 1769275

Toxicity Data With Reference

1.    

ipr-mus LD :>500 mg/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 4 (1952),323.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

  (1-Hydroxy-2,2,2-trichloroethyl)urea with cas registry number of 2000-40-0 is also named as 1-03-00-00027 (Beilstein Handbook Reference) ; AI3-02192 ; Chloralurea ; Monochloralurea ; Trichloro-ethylol-urea ; Urea, (1-hydroxy-2,2,2-trichloroethyl)- ; Urea, (2,2,2-trichloro-1-hydroxyethyl)- .