Tris(2-chloroethyl) phosphate
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CAS Number 115-96-8
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Catalog Number io-3178
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Classification Esters
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Molecular Weight 285.5000
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SMILES C(CCl)OP(=O)(OCCCl)OCCCl
| Size | QTY | Notes | |
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Tris(2-chloroethyl) Phosphate can cause cancer according to The National Toxicology Program.
| 1 | Tri(beta-chloroethyl) phosphate |
| 2 | Tris(2-chloroethyl) orthophosphate |
| 3 | TRIS(2-CHLOROETHYL) PHOSPHATE |
| 4 | Tris(2-chloroethyl)phosphate |
| 5 | Celluflex |
| Molecular Formula | C6H12Cl3O4P |
|---|---|
| Canonical SMILES | C(CCl)OP(=O)(OCCCl)OCCCl |
| Isomeric SMILES | C(CCl)OP(=O)(OCCCl)OCCCl |
| Molecular Weight | 285.5000 |
| InChIKey | HQUQLFOMPYWACS-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2 |
| XLogP | 1.3000 |
| ExactMass | 283.9539 |
| MonoisotopicMass | 283.9539 |
| TPSA | 44.8000 |
| Complexity | 152.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 9 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 19483 |
| PatentFamilyCount | 7970 |
| LiteratureCount | 600 |
