| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM13674845-2 |
| Product Name | Tris(1-chloro-2-propyl) phosphate |
| CAS | 13674-84-5 |
| Structure |  |
| Synonyms | Tris(2-chloro-1-methylethyl) ester |
| IUPAC Name | Tris(1-chloropropan-2-yl) phosphate |
| Molecular Weight | 327.6 |
| Molecular Formula | C9H18Cl3O4P |
| Canonical SMILES | CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl |
| InChI | InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3 |
| InChIKey | KVMPUXDNESXNOH-UHFFFAOYSA-N |
| Boiling Point | 270 °C |
| Melting Point | -39.9 °C |
| Flash Point | -218 °C |
| Density | 1.28 g/mL |
| Complexity | 216 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.000829 |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 326.000829 |
| Physical State | Liquid |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 44.8 Ų |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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