(phenyldiselanyl)benzene; diiodane

• ChemBase ID: 135496
• Molecular Formular: C12H10I2Se2
• Molecular Mass: 565.93674
• Monoisotopic Mass: 567.72023832
• SMILES: c1ccc(cc1)[Se][Se]c1ccccc1.II
• Canonical SMILES: c1ccc(cc1)[Se][Se]c1ccccc1.II
• InChI: InChI=1S/C12H10Se2.I2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2/h1-10H
• InChIKey: CLWGFAMYQSGGGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (phenyldiselanyl)benzene; diiodane
• IUPAC Traditional name: diphenyl diselenide; iodine
• Synonyms: Diphenyl diselenide, compound with iodine (1:1); 二苯基二硒醚，含碘化合物 (1:1)

Database IDs

• CAS Number: 59411-08-4
• MDL Number: MFCD00075385
• PubChem SID: 162229770
• PubChem CID: 71309280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.499
• LogD (pH = 7.4): 3.499
• Log P: 3.499
• Molar Refractivity: 77.1784 cm^3
• Polarizability: 19.828264 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 59-61 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2928
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• RID/ADR: UN 2928 6.1/PG 2

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C12H10I2Se2