1,1-diiodo-2,2-dimethylpropane

• ChemBase ID: 148370
• Molecular Formular: C5H10I2
• Molecular Mass: 323.94184
• Monoisotopic Mass: 323.88719632
• SMILES: CC(C)(C)C(I)I
• Canonical SMILES: IC(C(C)(C)C)I
• InChI: InChI=1S/C5H10I2/c1-5(2,3)4(6)7/h4H,1-3H3
• InChIKey: WETJKCOBPFKLBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diiodo-2,2-dimethylpropane
• IUPAC Traditional name: 1,1-diiodo-2,2-dimethylpropane
• Synonyms: 1,1-Diiodo-2,2-dimethylpropane; 1,1-二碘-2,2-二甲基丙烷

Database IDs

• CAS Number: 2443-89-2
• MDL Number: MFCD00074844
• PubChem SID: 162242546; 24856520
• PubChem CID: 4117363

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.292194
• LogD (pH = 7.4): 4.292194
• Log P: 4.292194
• Molar Refractivity: 50.2409 cm^3
• Polarizability: 20.370077 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100 °C/0.3 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 2.138 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.605(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: 98%
• Linear Formula: (CH3)3CCHI2

DETAILS

Sigma Aldrich - 272957

Packaging
1 g in glass bottle