1-chloro-1,1,2,2-tetrafluoro-2-iodoethane

• ChemBase ID: 7196
• Molecular Formular: C2ClF4I
• Molecular Mass: 262.3724828
• Monoisotopic Mass: 261.86693856
• SMILES: C(C(F)(F)Cl)(F)(F)I
• Canonical SMILES: FC(C(Cl)(F)F)(I)F
• InChI: InChI=1S/C2ClF4I/c3-1(4,5)2(6,7)8
• InChIKey: XNIBSTIKPHNKSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,1,2,2-tetrafluoro-2-iodoethane
• IUPAC Traditional name: 1-chloro-1,1,2,2-tetrafluoro-2-iodoethane
• Synonyms: 2-Chlorotetrafluoroethyl iodide; 1-Chloro-2-iodotetrafluoroethane 97%; 1-Chloro-2-iodotetrafluoroethane; 2-Chloro-1,1,2,2-tetrafluoroethyl iodide; 1-Chloro-2-iodotetrafluoroethane; 1-氯-2-碘四氟乙烷

Database IDs

• CAS Number: 421-78-3
• EC Number: 000-000-0
• MDL Number: MFCD00069092
• Beilstein Number: 1699458
• PubChem SID: 160970503
• PubChem CID: 136268

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.42
• LogD (pH = 7.4): 2.42
• Log P: 2.42
• Molar Refractivity: 30.6787 cm^3
• Polarizability: 11.9733095 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 56°C; 56°C; 56-57°C
• Refractive Index: 1.3900; 1.392; 1.3920

Safety Information

• Storage Warning: Light Sensitive; Toxic; TOXIC, LIGHT SENSITIVE
• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-40
• Safety Statements: 36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H331-H302-H312-H351
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%