triiodo(2H)methane

• ChemBase ID: 137776
• Molecular Formular: CHI3
• Molecular Mass: 393.73205
• Monoisotopic Mass: 393.72124403
• SMILES: C(I)(I)I
• Canonical SMILES: IC(I)I
• InChI: InChI=1S/CHI3/c2-1(3)4/h1H
• InChIKey: OKJPEAGHQZHRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triiodo(^2H)methane
• IUPAC Traditional name: triiodo(^2H)methane
• Synonyms: Triiodomethane-d; Iodoform-d; 三碘甲烷-d; 碘仿-d

Database IDs

• CAS Number: 2787-27-1
• MDL Number: MFCD02093710
• PubChem SID: 24873978; 162232037
• PubChem CID: 16213771

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: 19.0228 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-123 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: CDI3

DETAILS

Sigma Aldrich - 517852

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.