2,3-dichloro-1,1,1,2,3,4,4,4-octafluorobutane

• ChemBase ID: 94865
• Molecular Formular: C4Cl2F8
• Molecular Mass: 270.9360256
• Monoisotopic Mass: 269.92493112
• SMILES: FC(C(C(C(F)(F)F)(Cl)F)(Cl)F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(Cl)F)(C(F)(F)F)Cl
• InChI: InChI=1S/C4Cl2F8/c5-1(7,3(9,10)11)2(6,8)4(12,13)14
• InChIKey: LXANZHXWGZWFAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-1,1,1,2,3,4,4,4-octafluorobutane
• IUPAC Traditional name: 2,3-dichloro-1,1,1,2,3,4,4,4-octafluorobutane
• Synonyms: 2,3-Dichlorooctafluorobutane 97%; CFC-318mbb; 2,3-Dichlorooctafluorobutane; 2,3-二氯八氟丁烷

Database IDs

• CAS Number: 355-20-4
• EC Number: 206-578-2
• MDL Number: MFCD00018064
• Beilstein Number: 1777520
• PubChem SID: 162081519
• PubChem CID: 78982

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3498573
• LogD (pH = 7.4): 4.3498573
• Log P: 4.3498573
• Molar Refractivity: 32.0422 cm^3
• Polarizability: 12.13113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca -68°C
• Boiling Point: 62-63°C; 63°C
• Density: 1.68; 1.680
• Refractive Index: 1.313; 1.3130

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 97%