sodium acetylene

• ChemBase ID: 302156
• Molecular Formular: C2HNa
• Molecular Mass: 48.01911
• Monoisotopic Mass: 47.99759431
• SMILES: C#[C-].[Na+]
• Canonical SMILES: [C-]#C.[Na+]
• InChI: InChI=1S/C2H.Na/c1-2;/h1H;/q-1;+1
• InChIKey: SFDZETWZUCDYMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium acetylene
• IUPAC Traditional name: sodium dicarbon
• Synonyms: Sodium acetylide; 乙炔钠

Database IDs

• CAS Number: 1066-26-8
• EC Number: 213-908-9
• MDL Number: MFCD00008568
• Beilstein Number: 3587232

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.2114
• LogD (pH = 7.4): 0.2114
• Log P: 0.15384704
• Molar Refractivity: 6.983 cm^3
• Polarizability: 3.3829322 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Slurry
• Flash Point: 25°C(77°F)
• Density: 0.865

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 10-14/15-20/21-34
• Safety Statements: 7/8-26-36/37/39-43-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H261-H226-H314-H312-H332
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%, 17.3% wt min in xylene; ca 18% slurry in xylene