2-iodothiophene

• ChemBase ID: 8909
• Molecular Formular: C4H3IS
• Molecular Mass: 210.03609
• Monoisotopic Mass: 209.9000191
• SMILES: Ic1sccc1
• Canonical SMILES: Ic1cccs1
• InChI: InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
• InChIKey: ROIMNSWDOJCBFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodothiophene
• IUPAC Traditional name: 2-iodothiophene
• Synonyms: 2-Iodothiophene; 2-Iodothiophene; 2-Thienyl iodide; 2-碘噻吩

Database IDs

• CAS Number: 3437-95-4
• EC Number: 222-342-1
• MDL Number: MFCD00005424
• Beilstein Number: 104666
• PubChem SID: 160972216; 24851738
• PubChem CID: 18921

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8486283
• LogD (pH = 7.4): 2.8486283
• Log P: 2.8486283
• Molar Refractivity: 35.6862 cm^3
• Polarizability: 14.363987 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -40 °C(lit.); -40°C; -40°C
• Boiling Point: 182°C; 73 °C/15 mmHg(lit.); 73°C/15mm
• Flash Point: 170.6 °F; 71°C; 71°C(159°F); 77 °C
• Density: 1.902; 1.902 g/mL at 25 °C(lit.); 2.064
• Refractive Index: 1.651; 1.6520; n20/D 1.651(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant; Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/38; 22-37/38-41-43
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319-H227; H302-H315-H317-H318-H335
• GHS Precautionary statements: P210-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%; 98%, stab. with copper
• Contains: copper as stabilizer
• Empirical Formula (Hill Notation): C4H3IS

DETAILS

MP Biomedicals - 05215201

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 196150

Packaging
25 g in glass bottle

REFERENCES

• In contrast to 2-Bromothiophene, A11959 which requires a copper catalyst, reaction with a variety of thiols, including Thiophene-2-thiol, B22642 to give 2,2'-dithienyl sulfide, proceeds in high yield in the absence of catalyst, base or solvent: Tetrahedron Lett., 36, 8439 (1995).