Cas no 175840-70-7 (2-Heptanol,1,1,1-trifluoro-, (2R)-)

2-Heptanol,1,1,1-trifluoro-, (2R)- structure
175840-70-7 structure
Product Name:2-Heptanol,1,1,1-trifluoro-, (2R)-
CAS No:175840-70-7
MF:C7H13F3O
MW:170.172733068466
CID:112159
PubChem ID:2779096
Update Time:2025-04-18

2-Heptanol,1,1,1-trifluoro-, (2R)- Chemical and Physical Properties

Names and Identifiers

    • 2-Heptanol,1,1,1-trifluoro-, (2R)-
    • (2R)-1,1,1-Trifluoro-2-heptanol
    • (R)-(+)-1,1,1-Trifluoroheptan-2-ol
    • (2R)-1,1,1-trifluoroheptan-2-ol
    • (R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97
    • (R)-1,1,1-Trifluoroheptan-2-ol
    • 2-Heptanol, 1,1,1-trifluoro-, (2R)-
    • (R)-(+)-1,1,1-Trifluoroheptan-2-ol, 97%
    • SCHEMBL8535016
    • 175840-70-7
    • J-011137
    • YFVHSPAONQXAIB-ZCFIWIBFSA-N
    • MDL： MFCD03093950
    • Inchi： 1S/C7H13F3O/c1-2-3-4-5-6(11)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1
    • InChI Key： YFVHSPAONQXAIB-ZCFIWIBFSA-N
    • SMILES： FC([C@@H](CCCCC)O)(F)F

Computed Properties

  • Exact Mass: 170.09189
  • Monoisotopic Mass: 170.09184952g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.085?g/mL?at 25?°C(lit.)
  • Boiling Point: 151-152?°C(lit.)
  • Flash Point: 129?°F
  • Refractive Index: n20/D 1.375(lit.)
  • PSA: 20.23
  • LogP: 2.48990
  • Solubility: Not determined

2-Heptanol,1,1,1-trifluoro-, (2R)- Security Information

  • Hazardous Material transportation number：UN 1987 3/PG 3
  • WGK Germany：3
  • Hazard Category Code： 10
  • Risk Phrases：10

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