Basic information
- Standard SMILES
CC1(C)c2cccc(P(C3CCCCC3)C3CCCCC3)c2OC2C(P(C3CCCCC3)C3CCCCC3)=CC=CC21- InChIKey
OFIYIILYWDAQSK-UHFFFAOYSA-N- Molecular formula
- C39H58OP2
- Average molar mass
- 604.8 g/mol
Names & identifiers
- Preferred name
- 4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene
- IUPAC
- dicyclohexyl-(5-dicyclohexylphosphanyl-9,9-dimethyl-4a,9a-dihydroxanthen-4-yl)phosphane
- English name
- 4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro- 9,9-dimethyl-8aH-xanthene
- Molecular formula
- C39H56OP2
- Molecular weight
- 602.81
Names & synonyms
4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro- 9,9-dimethyl-8aH-xantheneAKOS025149310dicyclohexyl-(5-dicyclohexylphosphanyl-9,9-dimethyl-4a,9a-dihydroxanthen-4-yl)phosphane4,5-Bis(dicyclohexylphosphino)-9,9-dimethyl-9H-xanthene-9H-xanthene4,5-Bis(dicycL4,5-Bis(dicyclohexylphosphino)4,5-Bis(dicyclohexylphosphino)-94,5-Bis(dicyclohexylphosphino)-9,10a-dihydro- 9,9-4,5-Bis(dicyclohexylphosphino)-9,9-dimethylxanthene4,5-Bis(dicyclohexylphosphino)dibenzopyranderivative
Show more names
4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro- 9,9-dimethyl-8...4,5-Bis(dicyclohexylphosphino)-9,9-dimethyl-9H-xanthene - [B71947]
Database identifiers
- CAS
940934-47-4
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 894
Physicochemical properties
- Melting point
- 169 to · 169.0 to 174.0 °C
- Boiling point
- 706.8 · 706.8±60.0 °C(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Light yellow
- InChIKey
- OFIYIILYWDAQSK-UHFFFAOYSA-N
- SMILES
- C1(=CC=CC2C(C3=CC=CC(P(C4CCCCC4)C4CCCCC4)=C3OC12)(C)C)P(C1CCCCC1)C1CCCCC1
- UNSPSC Code
- 12352200 · 12352200
- HS Code
- 2932.99 · 2932.99.7000
Safety & regulation
Safety data
- hs_code
- 2932.99.7000
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers50 total
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