Benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-


Chemical Name: Benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-
CAS Number: 89976-12-5
Product Number: AG003HNP(AGN-PC-0KKWV5)
Synonyms:
MDL No:
Molecular Formula: C8H6F3NO2
Molecular Weight: 205.1339

Identification/Properties


Properties
MP:
34-35℃
BP:
220.459 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
205.136g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
205.035g/mol
Monoisotopic Mass:
205.035g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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