1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol
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Basic information
- CAS
20583-04-4- Standard SMILES
OC(C#CC#CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
WXTPRAZNOXQAFY-UHFFFAOYSA-N- Molecular formula
- C30H22O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.16197994
Names & identifiers
- Preferred name
- 1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol
- IUPAC
- 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol
- English name
- 1,3-Butadiyne-1,4-diylbis(diphenylmethanol)
- Molecular formula
- C30H22O2
- Molecular weight
- 414.49
Names & synonyms
1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diolRefChem:40967320583-04-42,4-HEXADIYNE-1,6-DIOL, 1,1,6,6-TETRAPHENYL-1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol1,3-Butadiyne-1,4-diylbis(diphenylmethanol)BRN 26331654-06-00-07094 (Beilstein Handbook Reference)SCHEMBL414397DTXSID80174596WXTPRAZNOXQAFY-UHFFFAOYSA-NAKOS024430189
Show more names
TOD-71,1,6,6-Tetraphenyl-2,4-hexanediyne-1,6-diol
Database identifiers
- CAS
20583-04-4- PubChem CID
- 30190
- DTXSID
DTXSID80174596- Nikkaji
- J434.523A
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Melting point
- 140 · 140-141 °C
- Boiling point
- 652.5 · 652.5±55.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 10.56 · 10.56±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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Compound notes
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