4-(2-Bromophenyl)butan-1-ol
Basic information
- CAS
123206-83-7- Standard SMILES
OCCCCc1ccccc1Br- InChIKey
QVCSOSRGJVRDBF-UHFFFAOYSA-N- Molecular formula
- C10H13BrO
- Average molar mass
- 229.11 g/mol
- Monoisotopic mass
- 228.01498
Names & identifiers
- Preferred name
- 4-(2-Bromophenyl)butan-1-ol
- IUPAC
- 4-(2-bromophenyl)butan-1-ol
- English name
- 4-(2-BROMOPHENYL)BUTAN-1-OL
- Molecular formula
- C10H13BrO
- Molecular weight
- 229.11
Names & synonyms
4-(2-Bromophenyl)butan-1-ol123206-83-7Benzenebutanol, 2-bromo-2-Bromo-benzenebutanol4-(2-Bromophenyl)-1-butanolMFCD20340761Salmeterol Impurity 44-(o-bromophenyl)butanol4-(o-bromophenyl)-1-butanolSCHEMBL3028714SCHEMBL3028718QVCSOSRGJVRDBF-UHFFFAOYSA-N
Show more names
YEA20683AKOS013840340BS-15033SY241913CS-0139680F621598A1-17653
Database identifiers
- CAS
123206-83-7- PubChem CID
- 22136233
- Nikkaji
- J1.491.451J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 315 · 315.0±25.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.12 · 15.12±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
5 records
Compound notes
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