iodotris(trifluoromethyl)germane

• ChemBase ID: 137800
• Molecular Formular: C3F9GeI
• Molecular Mass: 406.5621988
• Monoisotopic Mass: 407.81127898
• SMILES: C(F)(F)(F)[Ge](C(F)(F)F)(C(F)(F)F)I
• Canonical SMILES: FC([Ge](C(F)(F)F)(C(F)(F)F)I)(F)F
• InChI: InChI=1S/C3F9GeI/c4-1(5,6)13(14,2(7,8)9)3(10,11)12
• InChIKey: SNDJUKPGRATGFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodotris(trifluoromethyl)germane
• IUPAC Traditional name: iodotris(trifluoromethyl)germane
• Synonyms: Tris(trifluoromethyl)germanium iodide; Iodotris(trifluoromethyl)germanium; 三(三氟甲基)碘化锗; 碘代三(三氟甲基)锗

Database IDs

• CAS Number: 66348-18-3
• MDL Number: MFCD00192231
• Beilstein Number: 4133121
• PubChem SID: 162232061
• PubChem CID: 4525222

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.931
• LogD (pH = 7.4): 5.931
• Log P: 5.931
• Molar Refractivity: 30.6679 cm^3
• Polarizability: 16.589466 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -40 °C(lit.)
• Boiling Point: 72 °C(lit.)
• Density: 2.074 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.351(lit.)
• Vapor Pressure: 115 mmHg ( 20 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 97%
• Contains: copper as stabilizer
• Linear Formula: (CF3)3GeI