Basic information
- CAS
34622-68-9- Standard SMILES
CCC(C)OP(=O)(OC)OC=C(Cl)Cl- InChIKey
DWORZBHHACHFTC-UHFFFAOYSA-N- Molecular formula
- C7H13Cl2O4P
- Average molar mass
- 263.05 g/mol
- Monoisotopic mass
- 261.9928513
Names & identifiers
- Preferred name
- Butan-2-yl 2,2-dichloroethenyl methyl phosphate
- IUPAC
- butan-2-yl 2,2-dichloroethenyl methyl phosphate
- English name
- (2,2-Dichlorovinyl)butylmethyl=phosphate
- Molecular formula
- C7H13Cl2O4P
- Molecular weight
- 263.06
Names & synonyms
butan-2-yl 2,2-dichloroethenyl methyl phosphate34622-68-9DTXSID10956120RefChem:1080233DTXCID601384095Phosphoric acid, 2,2-dichlorovinyl butyl methyl esterBRN 22650292,2-Dichlorovinyl butyl methyl ester of phosphoric acid(2,2-Dichlorovinyl)butylmethyl=phosphateButan-2-yl 2,2-dichloroethen-1-yl methyl phosphatePhosphoric acid, 2,2-dichloroethenyl methyl 1-methylpropyl esterphosphoric acid sec-butyl ester 2,2-dichloro-vinyl ester methyl ester
Database identifiers
- CAS
34622-68-9- PubChem CID
- 214938
- DTXSID
DTXSID10956120
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 92 °C · 92 °C(Press: 1 Torr)
- Density
- 1.29 · 1.290±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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