chloro({4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]phenyl})mercury

• ChemBase ID: 131836
• Molecular Formular: C16H11ClHgN2O
• Molecular Mass: 483.31434
• Monoisotopic Mass: 484.02663366
• SMILES: c1ccc2c(c1)ccc(c2/N=N/c1ccc(cc1)[Hg]Cl)O
• Canonical SMILES: Cl[Hg]c1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1/b18-17+
• InChIKey: CDEIGFNQWMSEKG-QIKYXUGXSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro({4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]phenyl})mercury; chloro({4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]phenyl})mercury
• IUPAC Traditional name: chloro({4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]phenyl})mercury; chloro({4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]phenyl})mercury
• Synonyms: 1-(4-Chloromercuriophenylazo)-2-naphthol; Mercury Orange

Database IDs

• CAS Number: 3076-91-3
• EC Number: 221-358-6
• MDL Number: MFCD00042695
• PubChem SID: 24897177; 162226113; 24887940
• PubChem CID: 9573228

CALCULATED PROPERTIES

• Acid pKa: 11.835484
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5564995
• LogD (pH = 7.4): 4.556484
• Log P: 4.5565
• Molar Refractivity: 84.3607 cm^3
• Polarizability: 38.363575 Å^3
• Polar Surface Area: 44.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dark red powder

Safety Information

• RTECS: OW0250000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2025
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-33-50/53
• Safety Statements: 13-28-36-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H373-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 2025 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (Hg, AAS)
• Empirical Formula (Hill Notation): C16H11ClHgN2O

DETAILS

Sigma Aldrich - 83377

Other Notes
For the histochemical and quantitative microdetermination of sulfhydryl groups1,2,3