Basic information
- CAS
3488-87-7- Standard SMILES
CCCCOB1Oc2ccccc2O1- InChIKey
AANCNHZLOROQSC-UHFFFAOYSA-N- Molecular formula
- C10H13BO3
- Average molar mass
- 192.02 g/mol
- Monoisotopic mass
- 192.0957744
Names & identifiers
- Preferred name
- 1,3,2-Benzodioxaborole, 2-butoxy-
- IUPAC
- 2-butoxy-1,3,2-benzodioxaborole
- English name
- 2-Butoxy-1,3,2-benzodioxaborole
- Molecular formula
- C10H13BO3
- Molecular weight
- 192.02
Names & synonyms
3488-87-7Butyl o-phenylene borate1,3,2-Benzodioxaborole, 2-butoxy-DTXSID2063052RefChem:412274DTXCID50389152-butoxybenzo[d][1,3,2]dioxaborole2-butoxy-2H-1,3,2-benzodioxaboroleSCHEMBL11315086AANCNHZLOROQSC-UHFFFAOYSA-NAKOS0062395032-Butoxy-1,3,2-benzodioxaborole
Database identifiers
- CAS
3488-87-7- PubChem CID
- 77037
- DTXSID
DTXSID2063052- Nikkaji
- J421.683K
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 104 °C · 104 °C(Press: 5 Torr)
- Density
- 1.0707 g/cm3 · 1.0707 g/cm3
- EPA Substance Registry System
- 1 · 1,3,2-Benzodioxaborole, 2-butoxy- (3488-87-7)
- TSCA
- TSCA listed
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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,2-Benzodioxaborole, 2-butoxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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