2-iodopropane

• ChemBase ID: 89071
• Molecular Formular: C3H7I
• Molecular Mass: 169.99215
• Monoisotopic Mass: 169.95924822
• SMILES: IC(C)C
• Canonical SMILES: CC(I)C
• InChI: InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3
• InChIKey: FMKOJHQHASLBPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodopropane
• IUPAC Traditional name: 2-iodopropane
• Synonyms: 2-Iodopropane; Isopropyl iodide; 2-Iodopropane; Isopropyl iodide; 2-IODOPROPANE; n-PROPYL IODIDE; 异丙基碘; 2-碘丙烷

Database IDs

• CAS Number: 75-30-9; 107-08-4
• EC Number: 203-460-2; 200-859-3
• MDL Number: MFCD00001071
• Beilstein Number: 1098244
• Merck Index: 145214
• PubChem SID: 24881578; 24848923; 162075957
• PubChem CID: 6362
• Chemspider ID: 6122
• MeSH Name: isopropyl+iodide
• Wikipedia Title: Isopropyl_iodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1213927
• LogD (pH = 7.4): 2.1213927
• Log P: 2.1213927
• Molar Refractivity: 28.7611 cm^3
• Polarizability: 11.389769 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.4 g L^-1 (at 12.5 °C) in water; Miscible in benzene; Miscible in chloroform; Miscible in diethyl ether; Miscible in ethanol
• Apperance: Colourless liquid
• Melting Point: -90 °C(lit.); -90°C; -90.00°C (183.15K); -90°C
• Boiling Point: 88.75 - 89.75°C (361.9 - 362.9 K); 88-90 °C(lit.); 88-90°C; 88-90°C
• Flash Point: 107.6 °F; 42 °C; 42°C; 42.2°C; 42°C(107°F)
• Density: 1.701; 1.703; 1.703 g mL^-1; 1.703 g/mL at 25 °C(lit.); 1.703g/ml
• Refractive Index: 1.4982; 1.4997; n20/D 1.498; n20/D 1.498(lit.)
• Henry Constant: 890 nmol Pa^-1 kg^-1
• Viscosity: 6.971 mPa (at 20 °C)
• Heat Capacity: 137.3 J K^-1 mol^-1
• Std enthalpy of formation: -77.2–-72.6 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• Storage Warning: Flammable/Harmful/Air Sensitive/Light Sensitive/Store under Argon; Light Sensitive
• RTECS: TZ4100000; TZ4200000
• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 2392; UN2392
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 2Y
• Risk Statements: 10-22; 10-36/37/38; R:10; R10, R22
• Safety Statements: 26-37; 36/37; S:9-16-29; S36/37
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 226, 302; H226-H302; H226-H315-H319-H335
• GHS Precautionary statements: P280G-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 2392 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 98+%, stab. with copper; 99%
• Grade: purum
• Contains: copper as stabilizer; silver wool as stabilizer
• Linear Formula: (CH3)2CHI

DETAILS

MP Biomedicals - 02155067

(Isopropyl iodide) This item is stabilized with copper. 1 ml = approx. 1.70 g POSSIBLE CARCINOGEN!

Apollo Scientific Ltd - OR4540

Stabilised with copper

Sigma Aldrich - 148938

Packaging
5, 100, 500 g in glass bottle

REFERENCES

• The ring-opening of cyclic thionocarbonates followed by reductive elimination with zinc to give alkenes provides an alternative to the Corey-Winter desulfurization method (see Triethyl phosphite, L00339): Tetrahedron Lett., 3793 (1973).