1,3,5,7-tetraaluminahepta-3,4-dien-1,6-diyne

• ChemBase ID: 106798
• Molecular Formular: C3H6Al4
• Molecular Mass: 150.005892
• Monoisotopic Mass: 149.97310471
• SMILES: [AlH2]#C[AlH]=C=[AlH]C#[AlH2]
• Canonical SMILES: [AlH2]#C[AlH]=C=[AlH]C#[AlH2]
• InChI: InChI=1S/3C.4Al
• InChIKey: CAVCGVPGBKGDTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7-tetraaluminahepta-3,4-dien-1,6-diyne
• IUPAC Traditional name: 1,3,5,7-tetraaluminahepta-3,4-dien-1,6-diyne
• Synonyms: ALUMINUM CARBIDE; Aluminum carbide; 碳化铝

Database IDs

• CAS Number: 12656-43-8; 1299-86-1
• EC Number: 215-076-2
• MDL Number: MFCD00003425
• PubChem SID: 162087229; 24854497
• PubChem CID: 16685054

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3589
• LogD (pH = 7.4): 5.3589
• Log P: 5.3589
• Molar Refractivity: 11.4098 cm^3
• Polarizability: 12.50744 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Density: 2.36 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1394
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 15-36/37/38; R:14
• Safety Statements: 26-43; S:29
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H315-H319-H335
• GHS Precautionary statements: P231 + P232-P261-P305 + P351 + P338-P422
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1394 4.3/PG 2

Product Information

• Purity: 99%
• Particle Size: -325 mesh
• Description: cubic phase
• Linear Formula: Al4C3

DETAILS

MP Biomedicals - 05201446

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 241873

Packaging
25, 100 g in glass bottle