2,3,4,5,6,7,8,9,11,12-decaborabicyclo[8.1.1]dodecane

• ChemBase ID: 138492
• Molecular Formular: C2H12B10
• Molecular Mass: 144.22668
• Monoisotopic Mass: 146.18695438
• SMILES: B1BBBBC2BC(B2)BBB1
• Canonical SMILES: B1BBBBC2BC(BBB1)B2
• InChI: InChI=1S/C2H12B10/c3-1-4-2(3)6-8-10-12-11-9-7-5-1/h1-12H
• InChIKey: VNANXKFVYVNBPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5,6,7,8,9,11,12-decaborabicyclo[8.1.1]dodecane
• IUPAC Traditional name: 2,3,4,5,6,7,8,9,11,12-decaborabicyclo[8.1.1]dodecane
• Synonyms: 1,7-Dicarbadodecaborane; m-Barene; 1,7-Dicarbadodecaborane(12); m-Carborane; m-碳硼烷; 间碳硼烷

Database IDs

• CAS Number: 16986-24-6
• EC Number: 241-065-7
• MDL Number: MFCD00151574
• PubChem SID: 24863222; 162232747
• PubChem CID: 16212388

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.3538
• LogD (pH = 7.4): 9.3538
• Log P: 9.3538
• Molar Refractivity: 14.8074 cm^3
• Polarizability: 23.726725 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• RTECS: HS9290000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C2H12B10

DETAILS

Sigma Aldrich - 379182

Packaging
1 g in glass bottle