Lithium Bis(oxalato)borate

• CAS: 244761-29-3
• Catalog Number: ACM244761293
• Category: Main Products
• Molecular Weight: 193.79
• Molecular Formula: LiB(C2O4)2
• Description: Lithium bis(oxalato)borate (LiBOB) is a lithium-boron salt for use as an electrolyte material in lithium ion batteries.
• Synonyms: Lithium bis(oxalate)borate, LiBOB, Lithium bis(ethanedioato)borate, LiBOB abg, Lithium bis-(oxalato)borate advanced battery grade, lithium bisoxylate borate
• IUPAC Name: lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone
• Canonical SMILES: [Li+].[B-]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2
• InChI: InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1
• InChI Key: NVQAYVUCVASGDK-UHFFFAOYSA-N
• Melting Point: >300 ℃
• Appearance: White powder or crystals
• Complexity: 280
• Covalently-Bonded Unit Count: 2
• EC Number: 456-990-3;607-383-9
• Exact Mass: 193.984626g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 9
• H-Bond Donor: 0
• Heavy Atom Count: 14
• MDL Number: MFCD07776904
• Monoisotopic Mass: 193.984626g/mol
• Precautionary Statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
• Rotatable Bond Count: 0
• Signal Word: Warning

Custom Q&A

What is the PubChem CID for lithium bis(oxalate)borate?

The PubChem CID for lithium bis(oxalate)borate is 23677815.

What is the molecular formula of lithium bis(oxalate)borate?

The molecular formula of lithium bis(oxalate)borate is C4BLiO8.

What is the molecular weight of lithium bis(oxalate)borate?

The molecular weight of lithium bis(oxalate)borate is 193.8 g/mol.

What is the IUPAC Name of lithium bis(oxalate)borate?

The IUPAC Name of lithium bis(oxalate)borate is lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone.

What is the InChI of lithium bis(oxalate)borate?

The InChI of lithium bis(oxalate)borate is InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1.

What is the InChIKey of lithium bis(oxalate)borate?

The InChIKey of lithium bis(oxalate)borate is NVQAYVUCVASGDK-UHFFFAOYSA-N.

What is the canonical SMILES of lithium bis(oxalate)borate?

The canonical SMILES of lithium bis(oxalate)borate is [Li+].[B-]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2.

What is the CAS number of lithium bis(oxalate)borate?

The CAS number of lithium bis(oxalate)borate is 244761-29-3.

What is the hydrogen bond donor count of lithium bis(oxalate)borate?

The hydrogen bond donor count of lithium bis(oxalate)borate is 0.

Is lithium bis(oxalate)borate a canonicalized compound?

Yes, lithium bis(oxalate)borate is a canonicalized compound.