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Catecholborane (Technical Grade)

CAT: 0572-TRC-C215185-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C215185-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
274-07-7
Synonyms
1,3,2-Benzodioxaborole; Benzcatechinborane; CB; Catecholatoborane; Pyrocatecholborane;
Hazard Statement
Highly flammable liquid and vapour; UN number: UN2924; Packing Group: II
Smiles
B1Oc2ccccc2O1
Molecular Formula
C6H5BO2
Molecular Weight
119.91
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Catecholborane
CAS Number274-07-7
PubChem CID67506
IUPAC Name1,3,2-benzodioxaborole
Molecular FormulaC6H5BO2
Molecular Weight119.92
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity95
SMILES
B1OC2=CC=CC=C2O1
InChI
InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H
InChIKey
CENMEJUYOOMFFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Catecholborane
CAS: 274-07-7
CID: 67506
Formula: C6H5BO2
MW: 119.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.92
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass120.0382596
Monoisotopic Mass120.0382596
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity95.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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