Phosphoric acid, 2-chloro-1-methylethyl bis(2-chloropropyl) ester
Basic information
- CAS
76649-15-5- Standard SMILES
CC(Cl)COP(=O)(OCC(C)Cl)OC(C)CCl- InChIKey
WDLBXPUJJVVRGX-UHFFFAOYSA-N- Molecular formula
- C9H18Cl3O4P
- Average molar mass
- 327.6 g/mol
- Monoisotopic mass
- 326.000829
Names & identifiers
- Preferred name
- Phosphoric acid, 2-chloro-1-methylethyl bis(2-chloropropyl) ester
- IUPAC
- 1-chloropropan-2-yl bis(2-chloropropyl) phosphate
- English name
- 2-Chloro-1-methylethylbis(2-chloropropyl)phosphate
- Molecular formula
- C9H18Cl3O4P
- Molecular weight
- 327.57
Names & synonyms
Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate76649-15-5Bis(2-chloropropyl) 2-chloroisopropyl phosphatePhosphoric acid, 2-chloro-1-methylethyl bis(2-chloropropyl) esterRefChem:862434616-366-51-chloropropan-2-yl bis(2-chloropropyl) phosphateSCHEMBL12585275DTXSID70274251WDLBXPUJJVVRGX-UHFFFAOYSA-NNS00010621Bis(2-chloropropyl)(2-chloro-1-methylethyl) phosphate
Show more names
2-Chloro-1-methylethylbis(2-chloropropyl)phosphate
(2-Chloro-1-methylethyl) bis(2-chloropropyl) phosphate
Database identifiers
- CAS
76649-15-5- PubChem CID
- 93459
- DTXSID
DTXSID70274251- EC Number
- 616-366-5
- Nikkaji
- J453.506E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
Chemical ClassesOrganophosphate
Physicochemical properties
- Boiling point
- 358.5 · 358.5±22.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.6 · 1.6×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 2 · Bis(2-chloropropyl) 2-chloroisopropyl phosphate (76649-15-5)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, 2-chloro-1-methylethyl bis(2-chloropropyl) ester: ACTIVE
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Compound notes
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