CAS 407-59-0 1,1,1,4,4,4-Hexafluorobutane (HCID 67890)

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Basic information

CAS: 407-59-0
Standard SMILES: FC(F)(F)CCC(F)(F)F
InChIKey: CXIGIYYQHHRBJC-UHFFFAOYSA-N
Molecular formula: C4H4F6
Average molar mass: 166.06 g/mol
Monoisotopic mass: 166.02171945

Names & identifiers

Preferred name: 1,1,1,4,4,4-Hexafluorobutane
IUPAC: 1,1,1,4,4,4-hexafluorobutane
English name: 1,1,1,4,4,4-Hexafluorobutane
Molecular formula: C4H4F6
Molecular weight: 166.07

Names & synonyms

1,1,1,4,4,4-HexafluorobutaneHFC 245mffmHFC 356mffmHFC 356mffHFC 356Butane, 1,1,1,4,4,4-hexafluoro-DTXSID8074942R 356RefChem:70839DTXCID0039801CXIGIYYQHHRBJC-UHFFFAOYSA-N407-59-0

Show more names

1,1,1,4,4,4-Hexafluorobutane98%1,1,1,4,4,4-Hexafluorobutane 98%9-acetyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

MFCD00236686SCHEMBL166134SCHEMBL3342425SBB087960AKOS006228633

Database identifiers

CAS: 407-59-0
PubChem CID: 67890
DTXSID: DTXSID8074942
Nikkaji: J492.768K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 83.3

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: -53 °C · -53°C
Boiling point: 24 · 24-25°C
Density: 1 · 1,37 g/cm3
refractive index: 1.2732 · 1.2732
EPA Substance Registry System: 1 · Butane, 1,1,1,4,4,4-hexafluoro- (407-59-0)
Hazard Codes: F
Safety Statements: 23 · 23
HazardClass: GAS
HS Code: 2903491000 · 2903491000