Basic information
- CAS
1954-79-6- Standard SMILES
CNC(=O)NC(O)C(Cl)(Cl)Cl- InChIKey
BULMIDNYAWYAMZ-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3N2O2
- Average molar mass
- 221.47 g/mol
- Monoisotopic mass
- 219.957311
Overview
Mecloralurea is a member of ureas.
Names & identifiers
- Preferred name
- Mecloralurea
- IUPAC
- 1-methyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
- English name
- mecloralurea
- Molecular formula
- C4H7Cl3N2O2
- Molecular weight
- 221.47
Names & synonyms
MecloralureaHeraldium1954-79-6trichloroethylolmethylurealigeriumDTXSID20463839QXZ0A5J81DTXCID0026383RefChem:1562081-methyl-3-(2,2,2-trichloro-1-hydroxyethyl) urea217-786-81-Methyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
Show more names
3-(1-Hydroxy-2,2,2-trichloroethyl)-1-methylureaUrea, N-methyl-N'-(2,2,2-trichloro-1-hydroxyethyl)-
MecloralureeN-methyl-N'-(2,2,2-trichloro-1-hydroxyethyl)ureaNCGC00164480-01NCGC00164480-02SMR000685801CAS-1954-79-6Mecloralurea [INN:DCF]Mecloralurea [INN-Latin]
Database identifiers
- CAS
1954-79-6- PubChem CID
- 71808
- DTXSID
DTXSID2046383- ChEMBL
CHEMBL1902645- ChEBI
CHEBI:134910- UNII
- 9QXZ0A5J81
- EC Number
- 217-786-8
- Nikkaji
- J9.539G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
Solubility33.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 135 · 135-140°
- Boiling point
- 351.2 · 351.2±42.0 °C(Predicted)
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
- pka
- 11.75 · 11.75±0.20(Predicted)
- FDA UNII
- 9 QXZ0A5J81 · 9QXZ0A5J81
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: Mecloralurea is a member of ureas.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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