(iodomethyl)cyclopropane

• ChemBase ID: 141858
• Molecular Formular: C4H7I
• Molecular Mass: 182.00285
• Monoisotopic Mass: 181.95924822
• SMILES: C1CC1CI
• Canonical SMILES: ICC1CC1
• InChI: InChI=1S/C4H7I/c5-3-4-1-2-4/h4H,1-3H2
• InChIKey: JHKJQWFHNIOUKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (iodomethyl)cyclopropane
• IUPAC Traditional name: (iodomethyl)cyclopropane
• Synonyms: Cyclopropylmethyl iodide; (Iodomethyl)cyclopropane; (Iodomethyl)cyclopropane; 环丙基甲基碘化物; (碘甲基)环丙烷

Database IDs

• CAS Number: 33574-02-6
• MDL Number: MFCD06410734
• Beilstein Number: 1900420
• PubChem SID: 162236092
• PubChem CID: 2763048

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2323651
• LogD (pH = 7.4): 2.2323651
• Log P: 2.2323651
• Molar Refractivity: 31.4865 cm^3
• Polarizability: 12.490632 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.542

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36-43
• Safety Statements: 23-24-26-37-60; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319-H334; H319-H317
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P261-P301 + P310-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96.0% (GC); 97%; 98%
• Linear Formula: C3H5CH2I

DETAILS

Sigma Aldrich - 713457

Packaging
1 g in glass bottle