4-Hydroxyphenanthrene
Basic information
- CAS
7651-86-7- Standard SMILES
Oc1cccc2ccc3ccccc3c12- InChIKey
SIMYIUXARJLHEA-UHFFFAOYSA-N- Molecular formula
- C14H10O
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.07316494
Overview
4-phenanthrol is a phenanthrol.
Names & identifiers
- Preferred name
- 4-Hydroxyphenanthrene
- IUPAC
- phenanthren-4-ol
- English name
- 4-Hydroxy-phenanthrene
- Molecular formula
- C14H10O
- Molecular weight
- 194.23
Names & synonyms
4-Phenanthrenol4-Phenanthrol4-Hydroxyphenanthrene7651-86-74ED7OAK0P9DTXSID30227324NSC-171284CHEBI:20469RefChem:99371DTXCID30149815231-613-3Phenanthren-4-ol
Show more names
4-HYDROXY-PHENANTHRENENSC 171284MFCD00215970Phenanthren-5-ol4-Phenanthrenol; 4-Phenanthrol; 4-Hydroxyphenanthrene; NSC 171284;EINECS 231-613-3UNII-4ED7OAK0P9SCHEMBL82006
Database identifiers
- CAS
7651-86-7- PubChem CID
- 82105
- DTXSID
DTXSID30227324- ChEBI
CHEBI:20469- UNII
- 4ED7OAK0P9
- EC Number
- 231-613-3
- Nikkaji
- J151.439C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 113 · 113-115°C
- Boiling point
- 404.5 · 404.5±14.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.4 · 9.40±0.30(Predicted)
- color
- Off-White to Light Brown
- FDA UNII
- 4 ED7OAK0P9 · 4ED7OAK0P9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesA metabolite of Phenanthrene (P294800(P)), which is a polycyclic aromatic hydrocarbon; an environmental pollutant.
UsesA metabolite of Phenanthrene.
Additional notes
DefinitionChEBI: 4-phenanthrol is a phenanthrol.
Related reactions
1 records
Compound notes
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