Basic information
- CAS
59216-17-0- Standard SMILES
BrCCc1ccc(Br)cc1Br- InChIKey
HXKLFOFTXZZNNA-UHFFFAOYSA-N- Molecular formula
- C8H7Br3
- Average molar mass
- 342.85 g/mol
- Monoisotopic mass
- 339.80979
Names & identifiers
- Preferred name
- 1-(2-Bromoethyl)-2,4-dibromobenzene
- IUPAC
- 2,4-dibromo-1-(2-bromoethyl)benzene
- English name
- 1-(2-bromoethyl)-2,4-dibromobenzene
- Molecular formula
- C8H7Br3
- Molecular weight
- 342.85
Names & synonyms
2,4-dibromo-1-(2-bromoethyl)benzene59216-17-01-(2-Bromoethyl)-2,4-dibromobenzeneEINECS 261-661-0X4S5ED5MQ6SCHEMBL10831466DTXSID90207965HXKLFOFTXZZNNA-UHFFFAOYSA-NBenzene, 2,4-dibromo-1-(2-bormoethyl)-Benzene, 2,4-dibromo-1-(2-bromoethyl)-DB-362707NS00034108
Database identifiers
- CAS
59216-17-0- PubChem CID
- 100985
- DTXSID
DTXSID90207965- UNII
- X4S5ED5MQ6
- EC Number
- 261-661-0
- Nikkaji
- J308.646A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 319.1 · 319.1±27.0 °C(Predicted)
- Density
- 2.043 · 2.043±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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