ethynylsodium

• ChemBase ID: 149035
• Molecular Formular: C2HNa
• Molecular Mass: 48.01911
• Monoisotopic Mass: 47.99759431
• SMILES: C#C[Na]
• Canonical SMILES: [Na]C#C
• InChI: InChI=1S/C2H.Na/c1-2;/h1H
• InChIKey: SLBNQJAGYKQCKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynylsodium
• IUPAC Traditional name: ethynylsodium
• Synonyms: Ethynyl sodium; Sodium acetylide suspension; 乙炔基 钠; 乙炔钠

Database IDs

• CAS Number: 1066-26-8
• MDL Number: MFCD00008568
• Beilstein Number: 3587232
• PubChem SID: 162243204; 24855004
• PubChem CID: 2733336

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4114
• LogD (pH = 7.4): 0.4114
• Log P: 0.4114
• Molar Refractivity: 6.983 cm^3
• Polarizability: 4.9600496 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 25 °C; 77 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 10-14/15-20/21-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H261-H312-H314-H332
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 95% (Purity of contained acetylide)
• Concentration: 18 wt. % slurry in xylene: light mineral oil
• Linear Formula: HC≡CNa

DETAILS

Sigma Aldrich - 249572

Packaging
100, 500 g in Sure/Seal™