ChemicalBook Product Catalog Chemical Reagents Organic reagents Aromatic acids p-Nitrobenzoic acid

p-Nitrobenzoic acid

p-Nitrobenzoic acid Basic information
Product Name:p-Nitrobenzoic acid
Synonyms:4-nitrodracylicacid;Benzocaine EP Impurity E;acide4-nitrobenzoique;Benzoic acid, p-nitro-;Benzoicacid,4-nitro-;Kyselina p-nitrobenzoova;kyselinap-nitrobenzoova;kyselinap-nitrobenzoova(czech)
CAS:62-23-7
MF:C7H5NO4
MW:167.12
EINECS:200-526-2
Product Categories:C7;Carbonyl Compounds;Absolute Configuration Determination (Exciton Chirality CD Method);Analytical Chemistry;Enantiomer Excess & Absolute Configuration Determination;Carboxylic Acids;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Exciton Chirality CD Method (for Hydroxyl Groups);Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Dyestuff Intermediates;62-23-7
Mol File:62-23-7.mol
p-Nitrobenzoic acid Structure
p-Nitrobenzoic acid Chemical Properties
Melting point 237-240 °C(lit.)
Boiling point 295.67°C (rough estimate)
density 1.61
refractive index 1.6280 (estimate)
Fp 237 °C
storage temp. Store below +30°C.
solubility 0.42g/l
form Crystalline Powder
pka3.41(at 25℃)
color Light yellow
PH3.1 (0.42g/l, H2O, 20℃)(saturated solution)
Water Solubility <0.1 g/100 mL at 26 ºC
Merck 14,6589
SolventEthanol
Specific Activity50-60 mCi/mmol
Concentration0.1 mCi/ml
BRN 973593
Stability:Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases.
InChIKeyOTLNPYWUJOZPPA-UHFFFAOYSA-N
LogP1.890
CAS DataBase Reference62-23-7(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 4-nitro-(62-23-7)
EPA Substance Registry Systemp-Nitrobenzoic acid (62-23-7)
Safety Information
Hazard Codes Xn
Risk Statements 22-41-36
Safety Statements 26-39-24/25
WGK Germany 1
RTECS DH5075000
TSCA Yes
HS Code 29163900
Hazardous Substances Data62-23-7(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 1960 mg/kg
MSDS Information
ProviderLanguage
4-Nitrobenzoic acid English
SigmaAldrich English
ACROS English
ALFA English
p-Nitrobenzoic acid Usage And Synthesis
Chemical Propertieslight yellow crystalline powder
Uses4-Nitrobenzoic Acid is used in the synthesis of anti-Trypanosoma cruzi agents in the treatment of chagas disease.
DefinitionChEBI: A nitrobenzoic acid having the nitro group at the 4-position.
Synthesis Reference(s)Tetrahedron Letters, 26, p. 2387, 1985 DOI: 10.1016/S0040-4039(00)94834-2
Journal of the American Chemical Society, 72, p. 5012, 1950 DOI: 10.1021/ja01167a051
General DescriptionOdorless pale yellow crystals.
Air & Water ReactionsInsoluble in water.
Reactivity Profilep-Nitrobenzoic acid is incompatible with strong oxidizers. p-Nitrobenzoic acid is also incompatible with strong bases (potassium hydroxide). p-Nitrobenzoic acid may react with cyanides.
Fire Hazardp-Nitrobenzoic acid is combustible.
Purification MethodsPurify it as for 3-nitrobenzoic acid above. The amide has m 201.6o (from H2O). [Beilstein 9 III 1537, 9 IV 1072.]
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