diiodo(13C)methane

• ChemBase ID: 134726
• Molecular Formular: CH2I2
• Molecular Mass: 268.82817484
• Monoisotopic Mass: 268.8279509
• SMILES: [13CH2](I)I
• Canonical SMILES: I[13CH2]I
• InChI: InChI=1S/CH2I2/c2-1-3/h1H2/i1+1
• InChIKey: NZZFYRREKKOMAT-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodo(^1^3C)methane
• IUPAC Traditional name: diiodo(^1^3C)methane
• Synonyms: Methylene-13C iodide; Diiodomethane-13C; Methylene iodide-13C,d2; Diiodomethane-13C,d2; 碘化亚甲基-13C; 二碘甲烷-13C; 碘化亚甲基-13C,d2; 二碘甲烷-13C,d2

Database IDs

• CAS Number: 86128-37-2; 1217038-24-8
• MDL Number: MFCD08702896; MFCD00144127
• PubChem SID: 162229002; 24872431
• PubChem CID: 12403103

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: 13.44563 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 6 °C(lit.)
• Boiling Point: 68 °C/11 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 3.362 g/mL at 25 °C(lit.)
• Mass Shift: M+1; M+3

Safety Information

• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; 3
• Risk Statements: 22-36/37/38; 34
• Safety Statements: 26; 26-27-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H314
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280-P305 + P351 + P338-P310
• RID/ADR: UN 3265 8/PG 2; UN 3265 8/PG 3

Product Information

• Isotopic Purity: 98 atom % 13C; 98 atom % D; 99 atom % 13C
• Contains: copper as stabilizer
• Mol. Weight: mol wt 268.82 by atom % calculation; mol wt 270.79 by atom % calculation
• Linear Formula: 13CD2I2; 13CH2I2

DETAILS

Sigma Aldrich - 488844

Packaging
500 mg in glass bottle
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.

Sigma Aldrich - 630187

Packaging
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.