Basic information
- CAS
2929-85-3- Standard SMILES
CCCCOB(OCCCC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C- InChIKey
HVQKGGXARPLXIR-UHFFFAOYSA-N- Molecular formula
- C23H41BO3
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.3148753
Names & identifiers
- Preferred name
- Dibutyl 2,6-di-tert-butyl-4-tolyl orthoborate
- IUPAC
- dibutyl (2,6-ditert-butyl-4-methylphenyl) borate
- English name
- dibutyl 2,6-di-tert-butyl-4-tolyl orthoborate
- Molecular formula
- C23H41BO3
- Molecular weight
- 376.38084
Names & synonyms
2929-85-3Dibutyl 2,6-di-tert-butyl-4-tolyl orthoboratedibutyl 2,6-di-tert-butyl-4-methylphenyl borateDibutyl (2,6-di-tert-butyl-4-methylphenyl) borateNSC-60671NSC60671EINECS 220-894-8starbld0019199CN97VR2PVNSCHEMBL717885DTXSID80183542HVQKGGXARPLXIR-UHFFFAOYSA-N
Show more names
Dibutoxy(2,6-di-tert-butyl-4-methylphenoxy)borane
NSC 606712,6-Di-tert-butyl-p-cresyl-dibutyl borateNS000286612,6-Di-tert butyl-4-methylphenyl Dibutyl Borate2,6-Di-tert-butyl-4-methylphenyl di-butyl boratedi-n-butyl 2,6-di-t-butyl-4-methylphenyl borateBoric acid (H3BO3), 2,6-bis(1,1-dimethylethyl)-4-methylphenyl dibutyl ester
Database identifiers
- CAS
2929-85-3- PubChem CID
- 76232
- DTXSID
DTXSID80183542- UNII
- CN97VR2PVN
- EC Number
- 220-894-8
- Nikkaji
- J306.857I
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 391.4 · 391.4±42.0 °C(Predicted)
- Density
- 0.91 · 0.910±0.06 g/cm3(Predicted)
Related reactions
2 records
Compound notes
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