1-iodopentane

• ChemBase ID: 107545
• Molecular Formular: C5H11I
• Molecular Mass: 198.04531
• Monoisotopic Mass: 197.99054835
• SMILES: CCCCCI
• Canonical SMILES: CCCCCI
• InChI: InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3
• InChIKey: BLXSFCHWMBESKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodopentane
• IUPAC Traditional name: 1-iodopentane
• Synonyms: n-Amyl iodide; Pentyl iodide; 1-Iodopentane; n-AMYL IODIDE; n-Pentyl iodide; 1-iodopentane; 戊基碘; 正戊基碘; 1-碘戊烷

Database IDs

• CAS Number: 628-17-1
• EC Number: 211-030-0
• MDL Number: MFCD00001100
• Beilstein Number: 1730982
• PubChem SID: 162093660; 24881026; 24854503
• PubChem CID: 12335

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2202554
• LogD (pH = 7.4): 3.2202554
• Log P: 3.2202554
• Molar Refractivity: 38.0191 cm^3
• Polarizability: 14.953161 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 - 37°C; -86°C
• Boiling Point: 154-155 °C(lit.); 154-156°C
• Flash Point: 109.4 °F; 43 °C; 51°C(123°F)
• Density: 1.515; 1.517 g/mL at 25 °C(lit.)
• Refractive Index: 1.4950; n20/D 1.495; n20/D 1.495(lit.)
• Hydrophobicity(logP): 3.582

Safety Information

• Storage Warning: Light Sensitive
• RTECS: SA2975600
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38; R:36/37/38
• Safety Statements: 23-26-37; 26-36; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: 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 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 95%; 98%; 98%, stab with copper
• Grade: purum
• Contains: copper as stabilizer
• Linear Formula: CH3(CH2)4I

DETAILS

MP Biomedicals - 05204129

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 241946

Packaging
25, 100 g in glass bottle