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Structure

4-Nitrobenzoic acid

CAS
62-23-7
Catalog Number
ACM62237
Category
Other Products
Molecular Weight
167.12
Molecular Formula
C7H5NO4

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Specification

Description
It is an organic compound with the formula C6H4(NO2)CO2H. It is a precursor to it, the precursor to the anestheic Procaine and folic acid. It is also a precursor toPNBA.It is also widely used in the synthesis of pesticides and fuels. It is used to test alkaloids and to calibrate standard base solutions.  Used as a pharmaceutical intermediate, also as a raw material for the production of dyestuffs
Synonyms
Benzoic acid, 4-nitro-
Melting Point
239-242ºC
Flash Point
166.5ºC
Density
1.61
Appearance
Yellow crystals
Complexity
190
Defined Atom Stereocenter Count
0
EC Number
200-526-2
Exact Mass
167.0218
Formal Charge
0
Hazard Codes
Xn
Heavy Atom Count
12
HS Code
29163900
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
LogP
1.81620
MDL Number
MFCD00007352
Monoisotopic Mass
167.0218
PSA
83.12
Rotatable Bond Count
1
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases.
Topological Polar Surface Area
83.1 Ų
WGK Germany
1
XLogP3-AA
1.9
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