1-iododecane

• ChemBase ID: 87563
• Molecular Formular: C10H21I
• Molecular Mass: 268.17821
• Monoisotopic Mass: 268.06879867
• SMILES: ICCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCI
• InChI: InChI=1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
• InChIKey: SKIDNYUZJPMKFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iododecane
• IUPAC Traditional name: 1-iododecane
• Synonyms: 1-Iododecane; n-DECYL IODIDE; Decyl iodide; 1-Iododecane; 1-Decyl Iodide; n-Decyl Iodide; 癸基碘; 1-碘癸烷

Database IDs

• CAS Number: 2050-77-3
• EC Number: 218-104-1
• MDL Number: MFCD00001085
• Beilstein Number: 1735228
• PubChem SID: 162074603; 24854150
• PubChem CID: 16314

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4430985
• LogD (pH = 7.4): 5.4430985
• Log P: 5.4430985
• Molar Refractivity: 61.0241 cm^3
• Polarizability: 24.001276 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -16°C; -16°C; 35 - 37°C
• Boiling Point: 132 °C/15 mmHg(lit.); 132°C/15mm; 264°C
• Flash Point: 110 °C; 230 °F; 96°C; 96°C(204°F)
• Density: 1.257; 1.257 g/mL at 25 °C(lit.)
• Refractive Index: 1.485; 1.4850; n20/D 1.485(lit.)
• Vapor Pressure: 0.01 mmHg ( 20 °C)
• Vapor Density: >5 (vs air)
• Hydrophobicity(logP): 6.227

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold; Light Sensitive
• RTECS: HD8705000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38; R:36/37/38
• Safety Statements: 26; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 98%; 98%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: CH3(CH2)9I

DETAILS

MP Biomedicals - 05203143

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR3175

Stabilised with copper

Sigma Aldrich - 238252

Packaging
25, 100 g in glass bottle