sulfanylidenebarium

• ChemBase ID: 151496
• Molecular Formular: BaS
• Molecular Mass: 169.392
• Monoisotopic Mass: 169.877318
• SMILES: S=[Ba]
• Canonical SMILES: S=[Ba]
• InChI: InChI=1S/Ba.S
• InChIKey: OTMNKCRTGBGNPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfanylidenebarium
• IUPAC Traditional name: barium sulfide
• Synonyms: Barium sulfide; 硫化钡

Database IDs

• CAS Number: 21109-95-5
• EC Number: 244-214-4
• MDL Number: MFCD00014192
• PubChem SID: 162245649; 24874335
• PubChem CID: 88791

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.1828
• LogD (pH = 7.4): 0.1828
• Log P: 0.1828
• Molar Refractivity: 9.4338 cm^3
• Polarizability: 9.425369 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 4.25 g/mL at 15 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2813
• German water hazard class: 2
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 20/22-31-50
• Safety Statements: 28-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H400
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2813 4.3/PG 2
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: 99.9%
• Linear Formula: BaS

DETAILS

Sigma Aldrich - 523437

Packaging
10 g in glass bottle