diphenylzinc

• ChemBase ID: 107973
• Molecular Formular: C12H10Zn
• Molecular Mass: 219.5878
• Monoisotopic Mass: 218.00739232
• SMILES: [Zn](c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[Zn]c1ccccc1
• InChI: InChI=1S/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H
• InChIKey: MKRVHLWAVKJBFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylzinc
• IUPAC Traditional name: diphenylzinc
• Synonyms: Diphenylzinc; DIPHENYL ZINC; Diphenylzinc; 二苯锌; 二苯基锌

Database IDs

• CAS Number: 1078-58-6
• EC Number: 214-082-2
• MDL Number: MFCD00014071
• PubChem SID: 24871737; 162095463
• PubChem CID: 517896
• Wikipedia Title: Diphenylzinc

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.36
• LogD (pH = 7.4): 3.36
• Log P: 3.36
• Molar Refractivity: 50.9486 cm^3
• Polarizability: 23.167198 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 102-106 °C(lit.); 107°C
• Boiling Point: 280-285 °C(lit.); 280-285°C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T)
• UN Number: UN3181
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11; 45-46-17-48/20/21/22; R:15-17-58
• Safety Statements: 33-43; 53-45; S:7/8-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H228; H250-H340-H350-H373
• GHS Precautionary statements: P201-P222-P231-P308 + P313-P422; P210-P241-P280-P240-P370+P378A

Product Information

• Purity: 92%; 98+%
• Impurities: <7.5% benzene
• Linear Formula: (C6H5)2Zn

DETAILS

MP Biomedicals - 05205637

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 481076

Packaging
1 g in glass bottle