3,5-Diaminobenzotrifluoride


Chemical Name: 3,5-Diaminobenzotrifluoride
CAS Number: 368-53-6
Product Number: AG003IKP(AGN-PC-0WA7S7)
Synonyms:
MDL No:
Molecular Formula: C7H7F3N2
Molecular Weight: 176.1391

Identification/Properties


Properties
MP:
87-89 °C
BP:
325.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.142g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
176.056g/mol
Monoisotopic Mass:
176.056g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
147
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:
H302-H318
Precautionary Statements:
P280-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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