2-Butyl-1,3,2-dioxaborinane
Basic information
- CAS
30169-71-2- Standard SMILES
CCCCB1OCCCO1- InChIKey
UDMVQMMUSQGSDO-UHFFFAOYSA-N- Molecular formula
- C7H15BO2
- Average molar mass
- 142.01 g/mol
- Monoisotopic mass
- 142.1165099
Names & identifiers
- Preferred name
- 2-Butyl-1,3,2-dioxaborinane
- IUPAC
- 2-butyl-1,3,2-dioxaborinane
- English name
- 2-Butyl-1,3,2-dioxaborinane
- Molecular formula
- C7H15BO2
- Molecular weight
- 142
Names & synonyms
2-butyl-1,3,2-dioxaborinane30169-71-21,3,2-dioxaborinane, 2-butyl-MFCD000133631,3,2-Dioxaborinane,2-butyl-NSC1462552-Butyl-5,6-dihydro-4H-1,3,2-dioxaborin1-Butaneboronic acid, cyclic trimethylene ester2-butyl-132-dioxaborinane1,2-Dioxaborinane, 2-butyl-SCHEMBL1158289DTXSID90301775
Show more names
NSC-146255BS-52733n-Butylboronic acid 1,3-propanediol esterE85397F852468InChI=1/C7H15BO2/c1-2-3-5-8-9-6-4-7-10-8/h2-7H2,1H
Database identifiers
- CAS
30169-71-2- PubChem CID
- 286985
- DTXSID
DTXSID90301775- Nikkaji
- J277.939K
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.7
Physicochemical properties
- Boiling point
- 75 · 75-80 °C
- Density
- 0.88 · 0.88±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- RIDADR
- 1993 · 1993
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
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
- ridadr
- 1993
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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