Basic information
- CAS
57641-48-2- Standard SMILES
OC(COc1ccc(Cl)cc1)COc1ccc(Cl)cc1- InChIKey
UZKMXACRVHXSAQ-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2O3
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 312.0319997
Names & identifiers
- Preferred name
- 1,3-Bis(4-chlorophenoxy)propan-2-ol
- IUPAC
- 1,3-bis(4-chlorophenoxy)propan-2-ol
- English name
- 2-Propanol, 1,3-bis(4-chlorophenoxy)-
- Molecular formula
- C15H14Cl2O3
- Molecular weight
- 313.18
Names & synonyms
57641-48-21,3-bis(4-chlorophenoxy)propan-2-olNSC507901,3-Bis(4-chlorophenoxy)-2-propanolDTXSID90973219NSC45313NSC-45313NSC-507902-Propanol, 1,3-bis(4-chlorophenoxy)-
Database identifiers
- CAS
57641-48-2- PubChem CID
- 239783
- DTXSID
DTXSID90973219- Nikkaji
- J2.459.915I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 77 · 77-79 °C
- Boiling point
- 454.4 · 454.4±35.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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