iodocyclopentane

• ChemBase ID: 109934
• Molecular Formular: C5H9I
• Molecular Mass: 196.02943
• Monoisotopic Mass: 195.97489829
• SMILES: IC1CCCC1
• Canonical SMILES: IC1CCCC1
• InChI: InChI=1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2
• InChIKey: PCEBAZIVZVIQEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodocyclopentane
• IUPAC Traditional name: cyclopentane, iodo-
• Synonyms: Cyclopentyl iodide; Iodocyclopentane; IODOCYCLOPENTANE; 环戊基碘; 碘环戊烷; 碘代环戊烷

Database IDs

• CAS Number: 1556-18-9
• EC Number: 216-311-1
• MDL Number: MFCD00039446
• Beilstein Number: 1900558
• PubChem SID: 162095533; 24871251
• PubChem CID: 73784

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7027116
• LogD (pH = 7.4): 2.7027116
• Log P: 2.7027116
• Molar Refractivity: 36.0069 cm^3
• Polarizability: 14.274305 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 166-167°C; 77 °C/45 mmHg(lit.)
• Flash Point: 125.6 °F; 52 °C; 59°C(138°F)
• Density: 1.695; 1.695 g/mL at 25 °C(lit.)
• Refractive Index: 1.5480; n20/D 1.549(lit.)

Safety Information

• Storage Warning: Light Sensitive
• 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
• Safety Statements: 16; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• 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: 97%; 97%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: C5H9I

DETAILS

Sigma Aldrich - 476412

Packaging
5, 25 mL in glass bottle