1-iodopropane

• ChemBase ID: 89072
• Molecular Formular: C3H7I
• Molecular Mass: 169.99215
• Monoisotopic Mass: 169.95924822
• SMILES: ICCC
• Canonical SMILES: CCCI
• InChI: InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3
• InChIKey: PVWOIHVRPOBWPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodopropane
• IUPAC Traditional name: iodopropane; 1-iodopropane
• Synonyms: Propyl iodide; 1-Iodopropane; N-Propyl iodide; 1-Iodopropane; n-Propyl iodide; 丙基碘; 1-碘丙烷

Database IDs

• CAS Number: 107-08-4
• EC Number: 203-460-2
• MDL Number: MFCD00001095
• Beilstein Number: 505937
• Merck Index: 147862
• PubChem SID: 162075958; 24850389
• PubChem CID: 33643
• Chemspider ID: 31029
• Wikipedia Title: N-Propyl_iodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.331118
• LogD (pH = 7.4): 2.331118
• Log P: 2.331118
• Molar Refractivity: 28.8171 cm^3
• Polarizability: 11.387639 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.1 g L^-1 (at 20 °C) in water; Miscible in diethyl ether; Miscible in ethanol
• Apperance: Colourless liquid
• Melting Point: -101 °C(lit.); -101°C; -101.40°C (171.75K); -101°C
• Boiling Point: 101.55 - 103.15°C (374.7 - 376.3 K); 101-102 °C(lit.); 101-102°C; 101-102°C
• Flash Point: 111.2 °F; 112 °F; 44 °C; 44°C; 44°C(111°F)
• Density: 1.221 g/ml; 1.743; 1.743 g mL^-1; 1.743 g/mL at 25 °C(lit.); 1.744
• Refractive Index: 1.5050; 1.5051; n20/D 1.504(lit.); n20/D 1.505
• Vapor Pressure: 43 mmHg ( 25 °C); 5.733 kPa
• Henry Constant: 1.2 μmol Pa^-1 kg^-1
• Viscosity: 7.438 mPa (at 20 °C)
• Heat Capacity: 136.2 J K^-1 mol^-1
• Std enthalpy of formation: -687–-627 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Flammable/Irritant; Light Sensitive
• RTECS: TZ4100000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 2392; UN2392
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20-36/37/38-52/53; 10-20-52/53; R10, R20, R36/37/38 R52/53
• Safety Statements: 16-26-36/37-61; 26-61; 9-36-60-61; S26
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS Signal Word: WARNNG; Warning
• LD50: >1.8 g kg^-1 (oral, mouse); 297 mg kg^-1 (intraperitoneal, mouse); 300 mg kg^-1 (intravenous, mouse); 595 mg kg^-1 (intraperitoneal, guinea pig); 650 mg kg^-1 (intraperitoneal, rat)
• GHS Hazard statements: 226, 302, 315, 319, 332, 335; H226-H302 + H332-H315-H319-H335-H412; H226-H332-H402-H412
• GHS Precautionary statements: 261, 305+351+338; P210-P241-P261-P303+P361+P353-P403+P235-P501A; P261-P273-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: (GC); ~99%; ≥98.0% (GC); 98+%, stab. with copper; 99%
• Grade: purum
• Contains: copper as stabilizer; silver wool as stabilizer
• Linear Formula: CH3CH2CH2I

DETAILS

MP Biomedicals - 02155066

Purity: 99% This item is stabilized with copper. 1 ml = approx. 1.74 g

Apollo Scientific Ltd - OR4541

Stabilised with copper

Sigma Aldrich - 171883

Packaging
5, 100, 500 g in glass bottle