1-Butanol, 4,4,4-trifluoro-


Chemical Name: 1-Butanol, 4,4,4-trifluoro-
CAS Number: 461-18-7
Product Number: AG0033UE(AGN-PC-0JMOS5)
Synonyms:
MDL No:
Molecular Formula: C4H7F3O
Molecular Weight: 128.0930

Identification/Properties


Properties
BP:
125.0°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.3425
Computed Properties
Molecular Weight:
128.094g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
128.045g/mol
Monoisotopic Mass:
128.045g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
58.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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#:
1993
Hazard Statements:
H226-H302-H319
Precautionary Statements:
P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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