Benzoic acid, 4-nitro-


Chemical Name: Benzoic acid, 4-nitro-
CAS Number: 62-23-7
Product Number: AG00344D(AGN-PC-0A43HJ)
Synonyms:
MDL No:
Molecular Formula: C7H5NO4
Molecular Weight: 167.1189

Identification/Properties


Properties
MP:
237-240 °C(lit.)
BP:
359.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6280 (estimate)
Solubility:
0.42g/l
Computed Properties
Molecular Weight:
167.12g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
167.022g/mol
Monoisotopic Mass:
167.022g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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