2-(2H-1,3,2-benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole
Basic information
- CAS
13826-27-2- Standard SMILES
c1ccc2c(c1)OB(B1Oc3ccccc3O1)O2- InChIKey
WYBQOWXCLDXZNR-UHFFFAOYSA-N- Molecular formula
- C12H8B2O4
- Average molar mass
- 237.8 g/mol
- Monoisotopic mass
- 238.0608691
Names & identifiers
- Preferred name
- 2-(2H-1,3,2-benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole
- IUPAC
- 2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
- English name
- 2,2'-Bis-1,3,2-benzodioxaborole
- Molecular formula
- C12H8B2O4
- Molecular weight
- 237.81
Names & synonyms
2-(2H-1,3,2-benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaboroleRefChem:454473691-473-813826-27-2Bis(catecholato)diboron2,2'-Bibenzo[d][1,3,2]dioxaborole2,2'-Bi-1,3,2-benzodioxaboroleBIS(CATECHOLATO)DIBORANE2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaboroleMFCD098423432,2'-bis-1,3,2-benzodioxaboroleC12H8B2O4
Show more names
B2Cat2BIS(CATECHOLATE)DIBORONBis(catechoLBis (catechol) diboroneBis(catecholato)diboron 97%Bis(catecholato)diboron >
SCHEMBL3889220DTXSID403929512,2/'-Bis-1,3,2-benzodioxaboroleAKOS015968999CS-W019123AS-15219AMY979Bis(catecholato)diboron, 97%
Database identifiers
- CAS
13826-27-2- PubChem CID
- 3488065
- DTXSID
DTXSID40392951- EC Number
- 691-473-8
- Nikkaji
- J673.280A
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 189 · 189-196 °C (lit.)
- Boiling point
- 315 · 315.0±25.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- InChI
- 1S/C12H8B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H
- InChIKey
- WYBQOWXCLDXZNR-UHFFFAOYSA-N
- SMILES
- c1ccc2ob(oc2c1)-b3oc4ccccc4o3
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesBi-catenin boronic acid ester (B2cat2) is a commonly used boron chelate in the laboratory. It is an ideal intermediate for special boric acids and has wide applications in the synthesis of organoboron derivatives.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…