1-chloro-5-iodopentane

• ChemBase ID: 86233
• Molecular Formular: C5H10ClI
• Molecular Mass: 232.49037
• Monoisotopic Mass: 231.951576
• SMILES: ICCCCCCl
• Canonical SMILES: ClCCCCCI
• InChI: InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2
• InChIKey: GUUHKOCYWBEGGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-5-iodopentane
• IUPAC Traditional name: 1-chloro-5-iodopentane
• Synonyms: 1-Chloro-5-iodopentane; 5-Chloropentyl iodide; 5-Iodopentyl chloride; 1-Chloro-5-iodopentane; Pentamethylene chloroiodide; 1-氯-5-碘戊烷

Database IDs

• CAS Number: 60274-60-4
• EC Number: 262-137-4
• MDL Number: MFCD00039416
• Beilstein Number: 1732342
• PubChem SID: 162073349; 24874215
• PubChem CID: 108914

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1381688
• LogD (pH = 7.4): 3.1381688
• Log P: 3.1381688
• Molar Refractivity: 42.9988 cm^3
• Polarizability: 16.906538 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75-77°C/3mm; 75-77°C/4mm
• Flash Point: >110 °C; >110°C; >110°C(230°F); >230 °F
• Density: 1.663
• Refractive Index: 1.5305

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: I(CH2)5Cl

DETAILS

MP Biomedicals - 05202176

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 521590

Packaging
10 g in glass bottle