2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane

• ChemBase ID: 9554
• Molecular Formular: C4Cl3F7
• Molecular Mass: 287.3906224
• Monoisotopic Mass: 285.89538058
• SMILES: C(C(C(C(F)(F)F)(F)Cl)(Cl)Cl)(F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(Cl)F)(Cl)Cl)(F)F
• InChI: InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
• InChIKey: ZPGMWBFCBUKITA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane
• IUPAC Traditional name: 2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane
• Synonyms: Heptafluoro-2,2,3-trichlorobutane; 2,2,3-TRICHLOROHEPTAFLUOROBUTANE; CFC-317mab; 2,3,3-Trichloroheptafluorobutane; Heptafluoro-2,3,3-trichlorobutane; Heptafluoro-2,2,3-trichlorobutane 97%; 七氟-2,3,3-三氯丁烷

Database IDs

• CAS Number: 335-44-4
• MDL Number: MFCD00018065
• Beilstein Number: 1777522
• PubChem SID: 160972861
• PubChem CID: 78977

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.783284
• LogD (pH = 7.4): 4.783284
• Log P: 4.783284
• Molar Refractivity: 36.9607 cm^3
• Polarizability: 13.953951 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 4°C; 4°C
• Boiling Point: 97-98°C; 98°C
• Density: 1.748
• Refractive Index: 1.353; 1.3530

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%

DETAILS

MP Biomedicals - 05209449

MP Biomedicals Rare Chemical collection