Catecholborane

HCID 67506CAS 274-07-7

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Basic information

Standard SMILES: B1Oc2ccccc2O1
InChIKey: CENMEJUYOOMFFZ-UHFFFAOYSA-N
Molecular formula: C6H5BO2
Average molar mass: 119.92 g/mol
Monoisotopic mass: 120.0382598

Names & identifiers

Preferred name: Catecholborane
IUPAC: 1,3,2-benzodioxaborole

Names & synonyms

UB69382H5JRefChem:574899DTXCID3037670205-991-51,3,2-Benzodioxaborole274-07-7CatecholboraneDTXSID3059769c6h5bo2EINECS 205-991-5F044757

Database identifiers

CAS: 274-07-7
PubChem CID: 67506
DTXSID: DTXSID3059769
EC Number: 205-991-5

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 95.2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.