1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-ene

• ChemBase ID: 137214
• Molecular Formular: C2H12B10
• Molecular Mass: 144.22668
• Monoisotopic Mass: 146.18695438
• SMILES: B1BBBBBC=CBBBB1
• Canonical SMILES: B1BBBBBC=CBBBB1
• InChI: InChI=1S/C2H12B10/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H
• InChIKey: PWHTZDUTEHXWHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-ene
• IUPAC Traditional name: 1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-ene
• Synonyms: 1,2-Dicarbadodecaborane; 1,2-Dicarbadodecaborane(12); o-Carborane; 邻碳硼烷

Database IDs

• CAS Number: 16872-09-6
• EC Number: 240-897-8
• MDL Number: MFCD00012169
• PubChem SID: 162231479; 24857324
• PubChem CID: 17750431

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.1462
• LogD (pH = 7.4): -0.1462
• Log P: -0.1462
• Molar Refractivity: 16.722 cm^3
• Polarizability: 24.347128 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Powder
• Melting Point: 260 °C (subl.)(lit.); 285-287°C
• Density: 0.95

Safety Information

• RTECS: HS9285000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-22; 20/21/22
• Safety Statements: 36; 36-43
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H228; H312-H332
• GHS Precautionary statements: P210-P241-P301+P310-P321-P405-P501A; P280
• 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 - 288187

Packaging
1 g in glass bottle