4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-


Chemical Name: 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
CAS Number: 646-97-9
Product Number: AG0036Y3(AGN-PC-0JM6D5)
Synonyms:
MDL No:
Molecular Formula: C6H6F6O
Molecular Weight: 208.1017

Identification/Properties


Properties
BP:
379.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
208.103g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
208.032g/mol
Monoisotopic Mass:
208.032g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1987
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P210-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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