1-fluoro-3-methyl-5-(trifluoromethyl)benzene


Chemical Name: 1-fluoro-3-methyl-5-(trifluoromethyl)benzene
CAS Number: 184970-29-4
Product Number: AG003JGM(AGN-PC-01N78N)
Synonyms:
MDL No:
Molecular Formula: C8H6F4O
Molecular Weight: 194.1263

Identification/Properties


Properties
BP:
183.931°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
194.129g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
194.035g/mol
Monoisotopic Mass:
194.035g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
168
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#:
2811
Hazard Statements:
H301
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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