1-chloro-4-[(4-chlorophenyl)diselanyl]benzene

• ChemBase ID: 137506
• Molecular Formular: C12H8Cl2Se2
• Molecular Mass: 381.01792
• Monoisotopic Mass: 381.83334762
• SMILES: c1cc(ccc1Cl)[Se][Se]c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)[Se][Se]c1ccc(cc1)Cl
• InChI: InChI=1S/C12H8Cl2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
• InChIKey: DVGQWQMPCZYJLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-[(4-chlorophenyl)diselanyl]benzene
• IUPAC Traditional name: 1-chloro-4-[(4-chlorophenyl)diselanyl]benzene
• Synonyms: 4,4′-Dichlorodiphenyl diselenide; 4-Chlorophenyl diselenide; Bis(4-chlorophenyl) diselenide; 4,4′-二氯二苯基二硒化物; 4-氯苯基二硒化物; 双(4-氯苯基)二硒化物

Database IDs

• CAS Number: 20541-49-5
• EC Number: 243-864-6
• MDL Number: MFCD00000599
• Beilstein Number: 1974490
• PubChem SID: 162231768
• PubChem CID: 88583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.535
• LogD (pH = 7.4): 4.535
• Log P: 4.535
• Molar Refractivity: 86.788 cm^3
• Polarizability: 23.866405 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-87 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3283
• 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
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H373-H410
• GHS Precautionary statements: 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: 98%
• Linear Formula: (ClC6H4)2Se2