1,1,1,2,3,3,3-heptafluoropropane

• ChemBase ID: 8623
• Molecular Formular: C3HF7
• Molecular Mass: 170.0288624
• Monoisotopic Mass: 169.99664757
• SMILES: C(C(C(F)(F)F)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H
• InChIKey: YFMFNYKEUDLDTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3,3-heptafluoropropane
• IUPAC Traditional name: hfc-227ea (heptafluoropropane)
• Synonyms: Heptafluoropropane; Apaflurane; HFC-227ea; R-227ea; HFC-227; 1,1,1,2,3,3,3-Heptafluoropropane; 2H-Heptafluoropropane; 1,1,1,2,3,3,3-Heptafluoropropane; 2H-Heptafluoropropane (FC-227ea) 97%

Database IDs

• CAS Number: 431-89-0
• MDL Number: MFCD00043834
• PubChem SID: 160971930
• PubChem CID: 67940
• Chemspider ID: 61257
• Unique Ingredient Identifier: R40P36GDK6
• Wikipedia Title: 1,1,1,2,3,3,3-Heptafluoropropane

CALCULATED PROPERTIES

• Acid pKa: 14.703586
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3424742
• LogD (pH = 7.4): 2.3424742
• Log P: 2.3424742
• Molar Refractivity: 17.1396 cm^3
• Polarizability: 6.5038075 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -131 °C
• Boiling Point: -15°C; -16.4 °C
• Flash Point: none°C
• Density: 1.41; 1.46 g/cm3 at -16 °C

Safety Information

• Storage Warning: Irritant; IRRITANT, GAS
• UN Number: UN3296
• TSCA Listed: false
• NFPA704:
  

  0

  1

  1

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC4506

Cylinder - 1/4" NPT connection