1-(sec-Butyl)-4-nitrobenzene


Chemical Name: 1-(sec-Butyl)-4-nitrobenzene
CAS Number: 4237-40-5
Product Number: AG003ENK(AGN-PC-0WCZE9)
Synonyms:
MDL No: MFCD00130025
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157

Identification/Properties


Properties
BP:
144°C at 12 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
179.219g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
179.095g/mol
Monoisotopic Mass:
179.095g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
168
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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