2-iodoacetonitrile

• ChemBase ID: 8757
• Molecular Formular: C2H2IN
• Molecular Mass: 166.94845
• Monoisotopic Mass: 166.92319707
• SMILES: ICC#N
• Canonical SMILES: ICC#N
• InChI: InChI=1S/C2H2IN/c3-1-2-4/h1H2
• InChIKey: VODKOOOHHCAWFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodoacetonitrile
• IUPAC Traditional name: iodoacetonitrile
• Synonyms: Iodoacetonitrile; Iodoacetonitrile; 碘乙腈

Database IDs

• CAS Number: 624-75-9
• EC Number: 210-860-0
• MDL Number: MFCD00001886
• Beilstein Number: 1734628
• PubChem SID: 24880879; 160972064; 24896099
• PubChem CID: 69356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.780164
• LogD (pH = 7.4): 0.780164
• Log P: 0.780164
• Molar Refractivity: 24.7068 cm^3
• Polarizability: 9.640776 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 182-184 °C/720 mmHg(lit.); 182-184°C/720mm; 70-72°C/10mm
• Flash Point: 186.8 °F; 86 °C; 86°C(186°F)
• Density: 2.306; 2.307; 2.307 g/mL at 25 °C(lit.)
• Refractive Index: 1.5740; 1.5765; n20/D 1.574(lit.); n20/D 1.576

Safety Information

• Storage Warning: Light Sensitive; TOXIC, CORROSIVE
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 20/22-36/37/38; 22-34
• Safety Statements: 26-36/37/39-45; 9-26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H314-H318-H227; H302-H314
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: ICH2CN

DETAILS

MP Biomedicals - 05207829

MP Biomedicals Rare Chemical collection

Sigma Aldrich - I6903

Packaging
10, 50 g in glass bottle