| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM1522925-1 |
| Product Name | 3-Bromo-2,2-bis(bromomethyl)propanol |
| CAS | 1522-92-5 |
| Structure |  |
| Synonyms | Pentaerythritol tribromide |
| Description | 3-bromo-2,2-bis(bromomethyl)propanol is a white solid. (NTP, 1992) |
| IUPAC Name | 3-Bromo-2,2-bis(bromomethyl)propan-1-ol |
| Molecular Weight | 324.84 |
| Molecular Formula | C5H9Br3O |
| Canonical SMILES | C(C(CBr)(CBr)CBr)O |
| InChI | InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2 |
| InChIKey | QEJPOEGPNIVDMK-UHFFFAOYSA-N |
| Boiling Point | 131 °C |
| Melting Point | 64-66 °C |
| Purity | 98% |
| Density | 2.192±0.06 g/cm3 |
| Solubility | Insoluble (<1 mg/ml at 70.7° F) (NTP, 1992) |
| Complexity | 64.3 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.8183 |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 321.82035 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2 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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