2-Bromo-2,3-dimethylbutane
Basic information
- CAS
594-52-5- Standard SMILES
CC(C)C(C)(C)Br- InChIKey
NILGDLGIGRGWRL-UHFFFAOYSA-N- Molecular formula
- C6H13Br
- Average molar mass
- 165.07 g/mol
- Monoisotopic mass
- 164.02006
Names & identifiers
- Preferred name
- 2-Bromo-2,3-dimethylbutane
- IUPAC
- 2-bromo-2,3-dimethylbutane
- English name
- 2-bromo-2,3-dimethylbutane
- Molecular formula
- C6H13Br
- Molecular weight
- 165.07
Names & synonyms
2-Bromo-2,3-dimethylbutane594-52-5DTXSID30334769RefChem:1062439DTXCID80285858Butane, 2-bromo-2,3-dimethyl-SCHEMBL5387402SCHEMBL7871134SCHEMBL8643182SCHEMBL86431862-Bromo-2,3-dimethylbutane #NILGDLGIGRGWRL-UHFFFAOYSA-
Show more names
InChI=1/C6H13Br/c1-5(2)6(3,4)7/h5H,1-4H3
Database identifiers
- CAS
594-52-5- PubChem CID
- 521883
- DTXSID
DTXSID30334769- Nikkaji
- J94.879I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 55.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 147.26 °C · 147.26°C (estimate)
- Density
- 1.1804 · 1.1804
- refractive index
- 1.4507 · 1.4507
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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