1,4-Bis(2-chloroethoxy)-2,5-dibromobenzene
Basic information
- CAS
178557-12-5- Standard SMILES
ClCCOc1cc(Br)c(OCCCl)cc1Br- InChIKey
IGJLUNFUSYBNGH-UHFFFAOYSA-N- Molecular formula
- C10H10Br2Cl2O2
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 389.84246
Names & identifiers
- Preferred name
- 1,4-Bis(2-chloroethoxy)-2,5-dibromobenzene
- IUPAC
- 1,4-dibromo-2,5-bis(2-chloroethoxy)benzene
- English name
- 1,4-Bis(2-chloroethoxy)-2,5-dibromobenzene
- Molecular formula
- C10H10Br2Cl2O2
- Molecular weight
- 392.9
Names & synonyms
178557-12-51,4-BIS(2-CHLOROETHOXY)-2,5-DIBROMOBENZENE1,4-dibromo-2,5-bis(2-chloroethoxy)benzeneSCHEMBL5637872DTXSID50409963DB-301100H85472Benzene, 1,4-dibromo-2,5-bis(2-chloroethoxy)-
Database identifiers
- CAS
178557-12-5- PubChem CID
- 5207322
- DTXSID
DTXSID50409963
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 407.4 · 407.4±40.0 °C(Predicted)
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- solubility
- Acetone, Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Off-White
Chemistry & industry
Applications
Uses1,4-Bis(2-chloroethoxy)-2,5-dibromobenzene can be used in the preparation of potent 5-HT2 receptor agonists.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…