3-Chloropropyl 2,2-dichloroethenyl methyl phosphate
Basic information
- CAS
40282-81-3- Standard SMILES
COP(=O)(OC=C(Cl)Cl)OCCCCl- InChIKey
UKRKQSPQYNPCOJ-UHFFFAOYSA-N- Molecular formula
- C6H10Cl3O4P
- Average molar mass
- 283.5 g/mol
- Monoisotopic mass
- 281.938229
Names & identifiers
- Preferred name
- 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate
- IUPAC
- 3-chloropropyl 2,2-dichloroethenyl methyl phosphate
- English name
- Methyl(3-chloropropyl)(2,2-dichlorovinyl) =phosphate
- Molecular formula
- C6H10Cl3O4P
- Molecular weight
- 283.47
Names & synonyms
3-chloropropyl 2,2-dichloroethenyl methyl phosphate40282-81-3DTXSID30960688RefChem:1067634DTXCID701388533BRN 2265728Phosphoric acid, 3-chloropropyl 2,2-dichlorovinyl methyl ester3-Chloropropyl 2,2-dichlorovinyl methyl ester of phosphoric acid3-Chloropropyl 2,2-dichloroethen-1-yl methyl phosphateMethyl(3-chloropropyl)(2,2-dichlorovinyl) =phosphatePhosphoric acid, 3-chloropropyl 2,2-dichloroethenyl methyl ester
Database identifiers
- CAS
40282-81-3- PubChem CID
- 218149
- DTXSID
DTXSID30960688- Nikkaji
- J92.199H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 271 · 271.0±40.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
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Compound notes
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