[(chlorozincio)sulfanyl]benzene

• ChemBase ID: 144729
• Molecular Formular: C6H5ClSZn
• Molecular Mass: 210.0019
• Monoisotopic Mass: 207.90919084
• SMILES: c1ccc(cc1)S[Zn]Cl
• Canonical SMILES: Cl[Zn]Sc1ccccc1
• InChI: InChI=1S/C6H6S.ClH.Zn/c7-6-4-2-1-3-5-6;;/h1-5,7H;1H;/q;;+2/p-2
• InChIKey: HOQVHYWMYIDELD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(chlorozincio)sulfanyl]benzene
• IUPAC Traditional name: [(chlorozincio)sulfanyl]benzene
• Synonyms: Zinc chlorothiophenolate; 五氯苯硫酚锌盐

Database IDs

• CAS Number: 117-97-5
• EC Number: 204-224-1
• MDL Number: MFCD03701518
• PubChem SID: 24879072; 162238941
• PubChem CID: 71311120

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3434
• LogD (pH = 7.4): 2.3434
• Log P: 2.3434
• Molar Refractivity: 37.3664 cm^3
• Polarizability: 18.531239 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 364-369 °C (dec.)(lit.)

Safety Information

• RTECS: ZH0915000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-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 1759 8/PG 2

Product Information

• Linear Formula: Zn(SC6Cl5)2

DETAILS

Sigma Aldrich - 550825

Packaging
5 g in glass bottle