iodo(thiophen-3-yl)zinc

• ChemBase ID: 151904
• Molecular Formular: C4H3ISZn
• Molecular Mass: 275.41609
• Monoisotopic Mass: 273.8291611
• SMILES: c1cscc1[Zn]I
• Canonical SMILES: I[Zn]c1cscc1
• InChI: InChI=1S/C4H3S.HI.Zn/c1-2-4-5-3-1;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: WBSZATKWXJOQKC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(thiophen-3-yl)zinc
• IUPAC Traditional name: iodo(thiophen-3-yl)zinc
• Synonyms: 3-Thienylzinc iodide solution; 3-噻吩基碘化锌 溶液

Database IDs

• CAS Number: 172035-85-7
• MDL Number: MFCD03427251
• PubChem SID: 162246050; 24879956
• PubChem CID: 10612464

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8602
• LogD (pH = 7.4): 1.8602
• Log P: 1.8602
• Molar Refractivity: 35.9209 cm^3
• Polarizability: 17.683058 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 1.011 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C4H3ISZn

DETAILS

Sigma Aldrich - 561622

Packaging
50 mL in Sure/Seal™