(methyldiselanyl)methane

• ChemBase ID: 147239
• Molecular Formular: C2H6Se2
• Molecular Mass: 187.98904
• Monoisotopic Mass: 189.87999219
• SMILES: C[Se][Se]C
• Canonical SMILES: C[Se][Se]C
• InChI: InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3
• InChIKey: VLXBWPOEOIIREY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methyldiselanyl)methane
• IUPAC Traditional name: dimethyl diselenide
• Synonyms: Methyl diselenide; Dimethyl diselenide; 甲基二硒; 二甲基二硒醚

Database IDs

• CAS Number: 7101-31-7
• EC Number: 230-410-7
• MDL Number: MFCD00008254
• PubChem SID: 24859379; 162241430
• PubChem CID: 23496

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3468
• LogD (pH = 7.4): 0.3468
• Log P: 0.3468
• Molar Refractivity: 37.79 cm^3
• Polarizability: 6.149691 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 155-157 °C(lit.); 155-157°C
• Flash Point: 140 °F; 60 °C; 60°C(140°F)
• Density: 1.987; 1.987 g/mL at 25 °C(lit.)
• Refractive Index: 1.6388; n20/D 1.6388(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2929; UN2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25; 23/25-33-50/53
• Safety Statements: 20/21-28-43-45-60-61; 23-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H311-H331; H301-H331-H226-H373-H400-H410
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2929 6.1/PG 2

Product Information

• Purity: 96%; 99%
• Linear Formula: (CH3)2Se2

DETAILS

Sigma Aldrich - 328502

Packaging
1, 5 g in glass bottle