1,5-diiodopentane

• ChemBase ID: 86244
• Molecular Formular: C5H10I2
• Molecular Mass: 323.94184
• Monoisotopic Mass: 323.88719632
• SMILES: ICCCCCI
• Canonical SMILES: ICCCCCI
• InChI: InChI=1S/C5H10I2/c6-4-2-1-3-5-7/h1-5H2
• InChIKey: IAEOYUUPFYJXHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-diiodopentane
• IUPAC Traditional name: pentane, 1,5-diiodo-
• Synonyms: 1,5-Diiodopentane; Pentamethylene diiodide; 1,5-Diiodopentane; 1,5-二碘戊烷

Database IDs

• CAS Number: 628-77-3
• EC Number: 211-054-1
• MDL Number: MFCD00001101
• Beilstein Number: 1697281
• PubChem SID: 162073360; 24855185
• PubChem CID: 12354

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7539418
• LogD (pH = 7.4): 3.7539418
• Log P: 3.7539418
• Molar Refractivity: 51.231 cm^3
• Polarizability: 20.349098 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-102 °C/3 mmHg(lit.); 128-130°C/10mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 2.176; 2.177 g/mL at 25 °C(lit.)
• Refractive Index: 1.6012; n20/D 1.6002(lit.)

Safety Information

• Storage Warning: Light Sensitive
• RTECS: SA0425000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 97%; 97%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: I(CH2)5I

DETAILS

Sigma Aldrich - 252131

Packaging
25, 100 g in glass bottle