[(benzyldiselanyl)methyl]benzene

• ChemBase ID: 137619
• Molecular Formular: C14H14Se2
• Molecular Mass: 340.18096
• Monoisotopic Mass: 341.94259245
• SMILES: c1ccc(cc1)C[Se][Se]Cc1ccccc1
• Canonical SMILES: [Se](Cc1ccccc1)[Se]Cc1ccccc1
• InChI: InChI=1S/C14H14Se2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: HYAVEDMFTNAZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(benzyldiselanyl)methyl]benzene
• IUPAC Traditional name: [(benzyldiselanyl)methyl]benzene
• Synonyms: Dibenzyl diselenide; Benzyl diselenide; 1,2-Dibenzyldiselane; 二苄基二硒醚; 二苄基二硒

Database IDs

• CAS Number: 1482-82-2
• MDL Number: MFCD00004767
• Beilstein Number: 1877745
• PubChem SID: 162231881; 24857671
• PubChem CID: 95955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8296
• LogD (pH = 7.4): 3.8296
• Log P: 3.8296
• Molar Refractivity: 86.9596 cm^3
• Polarizability: 23.373604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-93 °C(lit.); 91-93°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3283; UN3283
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H373-H400-H410; H301-H331-H373-H410
• GHS Precautionary statements: P260-P261-P301+P310-P321-P405-P501A; P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 2

Product Information

• Purity: 95%; 95+%
• Linear Formula: (C6H5CH2)2Se2

DETAILS

Sigma Aldrich - 293687

Packaging
5 g in glass bottle