3-Chloro-4-fluorobenzotrifluoride


Chemical Name: 3-Chloro-4-fluorobenzotrifluoride
CAS Number: 78068-85-6
Product Number: AG00ICWX(AGN-PC-0WA8G8)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
BP:
136.8 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4355
Computed Properties
Molecular Weight:
198.545g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
197.986g/mol
Monoisotopic Mass:
197.986g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
156
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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