diiodo(2H2)methane

• ChemBase ID: 148696
• Molecular Formular: CH2I2
• Molecular Mass: 267.83552
• Monoisotopic Mass: 267.82459606
• SMILES: C(I)I
• Canonical SMILES: ICI
• InChI: InChI=1S/CH2I2/c2-1-3/h1H2
• InChIKey: NZZFYRREKKOMAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodo(^2H₂)methane
• IUPAC Traditional name: diiodo(^2H₂)methane
• Synonyms: Methylene-d2 iodide; Diiodomethane-d2; 碘化亚甲基-d2; 二碘甲烷-d2

Database IDs

• CAS Number: 15729-58-5
• MDL Number: MFCD00134252
• PubChem SID: 162242871; 24862348
• PubChem CID: 12403101

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4811857
• LogD (pH = 7.4): 2.4811857
• Log P: 2.4811857
• Molar Refractivity: 32.2147 cm^3
• Polarizability: 13.426755 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68 °C/15 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 3.325 g/mL at 25 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Isotopic Purity: 99 atom % D
• Contains: copper as stabilizer
• Mol. Weight: mol wt 269.83 by atom % calculation
• Linear Formula: CD2I2

DETAILS

Sigma Aldrich - 363049

Packaging
1, 5 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Application
Used to prepare deuterated fulvene for retro-Diels-Alder studies.1