Basic information
- CAS
541-79-7- Standard SMILES
CCOC(=O)NC(O)C(Cl)(Cl)Cl- InChIKey
ITMSAWKLJVGBIT-UHFFFAOYSA-N- Molecular formula
- C5H8Cl3NO3
- Average molar mass
- 236.48 g/mol
- Monoisotopic mass
- 234.956976
Overview
Carbocloral is a carbamate ester.
Names & identifiers
- Preferred name
- Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
- IUPAC
- ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
- English name
- Carbocloral
- Molecular formula
- C5H8Cl3NO3
- Molecular weight
- 236.48
Names & synonyms
Carbocloral541-79-7ProdormCI-336ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamateCarbocloralumHY-185CN-16146NSC-33077DTXSID9046233NSC33077K0KA807799
Show more names
Carbocloral USP/EP/BPETHYL N-(1-HYDROXY-2,2,2-TRICHLOROETHYL)CARBAMATE
CARBAMIC ACID, (2,2,2-TRICHLORO-1-HYDROXYETHYL)-, ETHYL ESTERDTXCID7026233RefChem:1085067CarbochloralChloralurethaneUralUralineUralium
Database identifiers
- CAS
541-79-7- PubChem CID
- 10944
- DTXSID
DTXSID9046233- ChEMBL
CHEMBL2104032- ChEBI
CHEBI:134960- UNII
- K0KA807799
- Nikkaji
- J6.396G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
LogP1.84
Physicochemical properties
- Melting point
- 103 ° · ~103° with partial decompn
- Boiling point
- 289.4 · 289.4±40.0 °C(Predicted)
- Density
- 1.521 · 1.521±0.06 g/cm3(Predicted)
- pka
- 9.96 · 9.96±0.46(Predicted)
- FDA UNII
- 0 KA807799 · K0KA807799
- Toxicity
- 1500 mg/kg · LDLo oral in rat: 1500mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo oral in rat: 1500mg/kg
Chemistry & industry
Applications
UsesSedative-hypnotic.
Suppliers5 total
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: Carbocloral is a carbamate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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