2,2'-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane]
Basic information
- CAS
5565-36-6- Standard SMILES
CC1(C)COB(c2ccc(B3OCC(C)(C)CO3)cc2)OC1- InChIKey
XDODHEZHZCJSML-UHFFFAOYSA-N- Molecular formula
- C16H24B2O4
- Average molar mass
- 302 g/mol
- Monoisotopic mass
- 302.18607005
Names & identifiers
- Preferred name
- 2,2'-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane]
- IUPAC
- 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
- English name
- 1,4-Benzenediboronic acid bis(neopentyl glycol) ester
- Molecular formula
- C16H24B2O4
- Molecular weight
- 301.98
Names & synonyms
5565-36-6DTXSID406296532,2'-(1,4-phenylene)bis(5,5-dimethyl-1,3,2-dioxaborinane)2,2'-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane]RefChem:242034DTXCID305804061,4-Benzenediboronic acid bis(neopentyl glycol) ester1,4-Bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzene2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinaneMFCD010757261,4-Benzenediboronic acid bis(neopentyl glycol)esterAKOS004115036
Show more names
1,4-Benzenedibo1,4-Benzenediboronic acid bis (NPG) cyclic ester1,4-Phenylenediboronic acid neopentyl glycol ester1,4-Benzenediboronic acid bis(neophtyl glycol) ester1,4-Phenylenediboronic acid bis(neopentyl glycol ester)2,2'-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis[5,5-dimethyl-
D95314HEPTALDEHYDESODIUMBISULFITEC16H24B2O41,4-Benzenediboronic acid bisneopentylglycol cyclic esterFT-0606764SCHEMBL4264297CS-W000947AS-15067
Database identifiers
- CAS
5565-36-6- PubChem CID
- 23005407
- DTXSID
DTXSID40629653- Nikkaji
- J761.342C
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 231 · 231-233°C
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 2952607 · 2952607
- CAS DataBase Reference
- 5565 · 5565-36-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Safety Statements
- 22 · 22-24/25
- HS Code
- 2931.9 · 2931.90.6000
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
- hs_code
- 2931.90.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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