Decane, 2-bromo-
Basic information
- CAS
39563-53-6- Standard SMILES
CCCCCCCCC(C)Br- InChIKey
HRDKIHSQGRCTMR-UHFFFAOYSA-N- Molecular formula
- C10H21Br
- Average molar mass
- 221.18 g/mol
- Monoisotopic mass
- 220.08266
Names & identifiers
- Preferred name
- Decane, 2-bromo-
- IUPAC
- 2-bromodecane
- English name
- 2-Bromodecane
- Molecular formula
- C10H21Br
- Molecular weight
- 221.18
Names & synonyms
39563-53-6Decane, 2-bromo-RefChem:10830142-bromodecaneNSC 97550SCHEMBL380134orb1986170SCHEMBL7863876SCHEMBL10521407SCHEMBL27701737DTXSID201377246NSC97550
Show more names
2-decylbromidedecane,2-bromo-1-Methylnonyl bromideTIANFU-CHEM_2-bromodecane 39563-53-6
NSC-97550AKOS009158467DB-049436T313252-decylbromide;decane,2-bromo-;2-BROMODECANE;1-Methylnonyl bromide150927-31-4
Database identifiers
- CAS
39563-53-6- PubChem CID
- 98297
- DTXSID
DTXSID201377246- Nikkaji
- J257.994D
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 71.3
Physicochemical properties
- Melting point
- -29.2 °C · -29.2°C (estimate)
- Boiling point
- 232.16 °C · 232.16°C (estimate)
- Density
- 1.051 · 1.0510
- refractive index
- 1.453 · 1.4530
Related reactions
3 records
Compound notes
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