3-(Perfluorobutyryl)-(-)-camphor - CAS 115224-00-5
Catalog: |
BB003513 |
Product Name: |
3-(Perfluorobutyryl)-(-)-camphor |
CAS: |
115224-00-5 |
Synonyms: |
(1S,4S)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
IUPAC Name: | (1S,4S)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
Description: | 3-(Perfluorobutyryl)-(-)-camphor (CAS# 115224-00-5 ) is a useful research chemical. |
Molecular Weight: | 348.26 |
Molecular Formula: | C14H15F7O2 |
Canonical SMILES: | CC1(C2CCC1(C(=O)C2C(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C |
InChI: | InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m0/s1 |
InChI Key: | PEWOESYEGLBLNR-NSMOOJLNSA-N |
Boiling Point: | 266.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.352 g/cm3 |
MDL: | MFCD00003747 |
LogP: | 4.02980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 564 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.09602685 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 348.09602685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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