(2-hydroxybenzoyloxy)plumbyl 2-hydroxybenzoate

• ChemBase ID: 136754
• Molecular Formular: C14H10O6Pb
• Molecular Mass: 481.4256
• Monoisotopic Mass: 482.02439004
• SMILES: c1ccc(c(c1)C(=O)O[Pb]OC(=O)c1ccccc1O)O
• Canonical SMILES: O=C(c1ccccc1O)O[Pb]OC(=O)c1ccccc1O
• InChI: InChI=1S/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
• InChIKey: CNVULGHYDPMIHD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxybenzoyloxy)plumbyl 2-hydroxybenzoate
• IUPAC Traditional name: (2-hydroxybenzoyloxy)plumbyl 2-hydroxybenzoate
• Synonyms: Lead(II) salicylate; 水杨酸铅(II)

Database IDs

• CAS Number: 15748-73-9
• EC Number: 239-839-4
• MDL Number: MFCD00045818
• PubChem SID: 162231023; 24878299
• PubChem CID: 16700269

CALCULATED PROPERTIES

• Acid pKa: 9.503643
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 5.308557
• LogD (pH = 7.4): 5.305195
• Log P: 5.3086
• Molar Refractivity: 68.735 cm^3
• Polarizability: 33.87166 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2291
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 61-20/22-33-50/53-62
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H332-H360Df-H373-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2291 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: Pb(OCOC6H4OH)2

DETAILS

Sigma Aldrich - 544175

Packaging
500 g in glass bottle