(phenylselanyl)benzene

• ChemBase ID: 108158
• Molecular Formular: C12H10Se
• Molecular Mass: 233.1678
• Monoisotopic Mass: 233.99477132
• SMILES: [Se](c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[Se]c1ccccc1
• InChI: InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
• InChIKey: ORQWTLCYLDRDHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (phenylselanyl)benzene
• IUPAC Traditional name: diphenyl selenide
• Synonyms: Diphenyl selenide; Phenyl selenide; DIPHENYL SELENIDE; 二苯硒醚

Database IDs

• CAS Number: 1132-39-4
• EC Number: 214-474-2; 214-474-3
• MDL Number: MFCD00014067
• PubChem SID: 24873185; 162089131
• PubChem CID: 14333

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3517
• LogD (pH = 7.4): 3.3517
• Log P: 3.3517
• Molar Refractivity: 64.0635 cm^3
• Polarizability: 19.468256 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 3°C; 3°C
• Boiling Point: 115°C; 115-117 °C(lit.); 165-167°C/12mm
• Flash Point: >110 °C; >230 °F
• Density: 1.338 g/ml; 1.338 g/mL at 25 °C(lit.); 1.351
• Refractive Index: n20/D 1.6465(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: SX1825000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3082; UN3440
• German water hazard class: 3
• Hazard Class: 6.1; 9
• Packing Group: 3; II
• Risk Statements: 23/25-33-50/53; R:23/25-33
• Safety Statements: 20/21-28-45-60-61; S:28-45-20/21
• TSCA Listed: 是
• 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: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%; 98%
• Linear Formula: (C6H5)2Se

DETAILS

MP Biomedicals - 05206276

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 498262

Packaging
10 g in glass bottle
Application
Used for Anti-selective Michael addition of thiols and their analogs to nitro-olefins.1