4,4'-(Octahydro-4,7-methano-5H-inden-5-ylidene)bis(phenol)
Basic information
- CAS
1943-97-1- Standard SMILES
Oc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1- InChIKey
WWCSTJWKTAXUGJ-UHFFFAOYSA-N- Molecular formula
- C22H24O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.17763
Names & identifiers
- Preferred name
- 4,4'-(Octahydro-4,7-methano-5H-inden-5-ylidene)bis(phenol)
- IUPAC
- 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
- English name
- 4,4'-(Octahydro-4,7-methano-5H-inden-5-ylidene) bisphenol
- Molecular formula
- C22H24O2
- Molecular weight
- 320.42
Names & synonyms
1943-97-14,4'-(octahydro-4,7-methano-5H-inden-5-ylidene)bisphenolRefChem:8611504,4'-(Octahydro-4,7-methano-5H-inden-5-ylidene)bis(phenol)217-739-14,4'-(Octahydro-1H-4,7-methanoindene-5,5-diyl)diphenolPhenol, 4,4'-(octahydro-4,7-methano-5H-inden-5-ylidene)bis-DTXSID30478934,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol5,7-methanoindanEINECS 217-739-1
Show more names
EINECS217-739-14,4'-(4,7-Methanohexahydroindan-5,5-diyl)bisphenol5,5-BIS(4-HYDROXYPHENYL)HEXAHYDRO-4,7-METHANOINDAN4,4'-(Tricyclo[5.2.1.02,6]decane-8,8-diyl)diphenol4,4'-(Tricyclo[5.2.1.02,6]decane-8,8-diyl)bisphenol4,4'-(Hexahydro-4,7-methanoindan-5-ylidene)diphenol4,4'-(tricyclo[5.2.1.0(2,6)]decan-8,8-diyl)diphenol4,4'-(Tricyclo[5.2.1.02,6]decane-8-ylidene)bisphenol4,4’-(octahydro-4,7-methano-5h-inden-5-ylidene)bis-pheno
NSC326760p,p'-(Octahydro-4,7-methano-5H-inden-5-ylidene)bisphenolSCHEMBL78324CHEMBL3186479DTXCID9027869Tox21_200559NSC 326760NSC-326760
Database identifiers
- CAS
1943-97-1- PubChem CID
- 102724
- DTXSID
DTXSID3047893- ChEMBL
CHEMBL3186479- EC Number
- 217-739-1
- Nikkaji
- J199.759I
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 219 · 219-221 °C
- Boiling point
- 419.31 °C · 419.31°C (rough estimate)
- Density
- 1.0363 · 1.0363 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- pka
- 9.87 · 9.87±0.30(Predicted)
- form
- Powder
- color
- Off-white
- EPA Substance Registry System
- 4 · Phenol, 4,4'-(octahydro-4,7-methano-5H-inden-5-ylidene)bis- (1943-97-1)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 29071990 · 29071990
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
- tsca
- TSCA listed
- hs_code
- 29071990
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-(octahydro-4,7-methano-5H-inden-5-ylidene)bis-: INACTIVE
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Related reactions
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Compound notes
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