2-iodobutane

• ChemBase ID: 89757
• Molecular Formular: C4H9I
• Molecular Mass: 184.01873
• Monoisotopic Mass: 183.97489829
• SMILES: IC(CC)C
• Canonical SMILES: CCC(I)C
• InChI: InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
• InChIKey: IQRUSQUYPCHEKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodobutane
• IUPAC Traditional name: 2-iodobutane
• Synonyms: sec-BUTYL IODIDE; 2-Iodobutane; 2-Butyl iodide; sec-Butyl iodide; 2-Iodobutane 99%; 仲丁基碘; 2-碘丁烷

Database IDs

• CAS Number: 513-48-4
• EC Number: 208-163-1
• MDL Number: MFCD00001072
• Beilstein Number: 1718777
• Merck Index: 141574
• PubChem SID: 24851965; 162076613; 24854666
• PubChem CID: 10559

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6439152
• LogD (pH = 7.4): 2.6439152
• Log P: 2.6439152
• Molar Refractivity: 33.2851 cm^3
• Polarizability: 13.166797 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -104 °C(lit.); -104°C; -104°C
• Boiling Point: 119-120 °C(lit.); 119-120°C; 119-120°C
• Flash Point: 21°C; 21°C(70°F); 24 °C; 75.2 °F
• Density: 1.597; 1.598; 1.598 g/mL at 25 °C(lit.)
• Refractive Index: 1.4990; 1.4991; n20/D 1.499; n20/D 1.499(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant/Light Sensitive/Keep Cold; Light Sensitive
• RTECS: EK4410000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2390; UN2390
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-36/37/38; R:10-36/37/38
• Safety Statements: 16-23-26-37; 26-36; S:16-20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H225-H315-H319-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P261-P280G-P305+P351+P338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2390 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 99%; 99%, stab. with copper
• Grade: purum
• Contains: copper as stabilizer; silver wool as stabilizer
• Linear Formula: CH3CH2CHICH3

DETAILS

Sigma Aldrich - 244325

Packaging
100 g in glass bottle
5 g in ampule