2-Bromo-1,4-di-tert-butylbenzene
Basic information
- CAS
6683-74-5- Standard SMILES
CC(C)(C)c1ccc(C(C)(C)C)c(Br)c1- InChIKey
JFRPIGCUUJRXMT-UHFFFAOYSA-N- Molecular formula
- C14H21Br
- Average molar mass
- 269.22 g/mol
- Monoisotopic mass
- 268.08266
Names & identifiers
- Preferred name
- 2-Bromo-1,4-di-tert-butylbenzene
- IUPAC
- 2-bromo-1,4-ditert-butylbenzene
- English name
- Benzene, 2-bromo-1,4-bis(1,1-dimethylethyl)-
- Molecular formula
- C14H21Br
- Molecular weight
- 269.22
Names & synonyms
2-Bromo-1,4-di-tert-butylbenzene6683-74-5MFCD183912542-Bromo-1,4-bis(1,1-dimethylethyl)benzene2-Bromo-1,4-ditert-butylbenzene1-Bromo-2,5-di-tert-butylbenzeneSCHEMBL11438490SCHEMBL30931254JFRPIGCUUJRXMT-UHFFFAOYSA-NDTXSID3013669452-bromo-1,4-ditert-butyl-benzeneBromobenzene, 3,6-di-tert-butyl-
Show more names
2-Bromo-1,4-ditert-butylbenzene #AS-96867SY3077152-bromo-1 ,4-bis(1 ,1-dimethylethyl)benzeneE86187Benzene, 2-bromo-1,4-bis(1,1-dimethylethyl)-F852933
Database identifiers
- CAS
6683-74-5- PubChem CID
- 620135
- DTXSID
DTXSID301366945- Nikkaji
- J1.294.303B
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 12-13 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Upstream & downstream products
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