triiodo(13C)methane

• ChemBase ID: 135378
• Molecular Formular: CHI3
• Molecular Mass: 394.72470484
• Monoisotopic Mass: 394.72459887
• SMILES: [13CH](I)(I)I
• Canonical SMILES: I[13CH](I)I
• InChI: InChI=1S/CHI3/c2-1(3)4/h1H/i1+1
• InChIKey: OKJPEAGHQZHRQV-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triiodo(^1^3C)methane
• IUPAC Traditional name: triiodo(^1^3C)methane
• Synonyms: Triiodomethane-13C; Iodoform-13C; 三碘甲烷-13C; 碘仿-13C

Database IDs

• MDL Number: MFCD01075587
• PubChem SID: 162229652
• PubChem CID: 12304721

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6471486
• LogD (pH = 7.4): 4.6471486
• Log P: 4.6471486
• Molar Refractivity: 45.2423 cm^3
• Polarizability: 19.038666 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-121 °C(lit.)
• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 394.72 by atom % calculation
• Linear Formula: 13CHI3

DETAILS

Sigma Aldrich - 606375

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.