Benzene, 1-ethynyl-3-(trifluoromethyl)-


Chemical Name: Benzene, 1-ethynyl-3-(trifluoromethyl)-
CAS Number: 705-28-2
Product Number: AG003JEX(AGN-PC-0KKYXD)
Synonyms:
MDL No:
Molecular Formula: C9H5F3
Molecular Weight: 170.1312096

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
170.134g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
170.034g/mol
Monoisotopic Mass:
170.034g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
196
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:
H225-H302-H312-H332
Precautionary Statements:
P210-P280
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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