| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM56803373-2 |
| Product Name | Tert-Butylphenyl diphenyl phosphate |
| CAS | 56803-37-3 |
| Structure |  |
| Synonyms | 2-Tert-Butylphenyl diphenyl phosphate |
| IUPAC Name | (2-tert-butylphenyl) diphenyl phosphate |
| Molecular Weight | 382.39 |
| Molecular Formula | C22H23O4P |
| Canonical SMILES | CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| InChI | VDIFKDMFGPIVCQ-UHFFFAOYSA-N |
| InChIKey | InChI=1S/C22H23O4P/c1-22(2,3)20-16-10-11-17-21(20)26-27(23,24-18-12-6-4-7-13-18)25-19-14-8-5-9-15-19/h4-17H,1-3H3 |
| Boiling Point | 245-260 °C |
| Flash Point | 224 °C |
| Purity | 95% |
| Density | 1.180 g/cm3 at 25 °C |
| Appearance | Colorless liquid |
| Complexity | 465 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.13339621 |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 382.13339621 |
| Physical State | Solid |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.8 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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