3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol
Basic information
- CAS
128272-29-7- Standard SMILES
Oc1cc2ccc(Br)cc2cc1C12CC3CC(CC(C3)C1)C2- InChIKey
BLOOFHRWAOQRNT-UHFFFAOYSA-N- Molecular formula
- C20H21BrO
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 356.07758
Names & identifiers
- Preferred name
- 3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol
- IUPAC
- 3-(1-adamantyl)-6-bromonaphthalen-2-ol
- English name
- 2-Naphthalenol, 6-BroMo-3-Tricyclo[3.3.1.13,7]Dec-1-Yl-
- Molecular formula
- C20H21BrO
- Molecular weight
- 357.28
Names & synonyms
3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol128272-29-7MFCD131823673-(1-adamantyl)-6-bromonaphthalen-2-ol3-(1-adamantyl)-6-bromo-2-naphthol2-Naphthalenol, 6-bromo-3-tricyclo[3.3.1.13,7]dec-1-yl-C20H21BrO7-(1-adamantyl)-6-hydroxy-2-bromonaphthaleneSCHEMBL7687459BLOOFHRWAOQRNT-UHFFFAOYSA-NAKOS027427697DS-18932
Show more names
3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol（WS204488）
SY3350113-(1-adamantyl)-6-bromo-naphthalen-2-olCS-0060297W17817F5214273-(Adamantan-1-yl)-6-bromonaphthalen-2-olWS204488
Database identifiers
- CAS
128272-29-7- PubChem CID
- 14549072
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 218 · 218-224 °C
- Boiling point
- 482.9 · 482.9±33.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 9.47 · 9.47±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
16 records
Compound notes
Loading…