4-Nitrophenylacetic acid
4-Nitrophenylacetic acid
  • CAS No.:104-03-0
Other grades of this product :
4-Nitrophenylacetic acid Basic information
Product Name:4-Nitrophenylacetic acid
Synonyms:2-(4-NITROPHENYL)ACETIC ACID;LABOTEST-BB LT00032156;4-NITRO-A-TOLUIC ACID;4-NITROBENZENEACETIC ACID;4-NITROPHENYLACETIC ACID;paraNitro Phenyl Acetic Acid;4-Nitrobenzencacetic;4-Nitrophenylacetic acid 98%
CAS:104-03-0
MF:C8H7NO4
MW:181.15
EINECS:203-168-5
Product Categories:Organic acids;Aromatic Phenylacetic Acids and Derivatives;Benzene derivatives;FINE Chemical & INTERMEDIATES;C8;Carbonyl Compounds;Carboxylic Acids;Intermediates
Mol File:104-03-0.mol
4-Nitrophenylacetic acid Chemical Properties
Melting point 150-155 °C(lit.)
Boiling point 314.24°C (rough estimate)
density 1.4283 (rough estimate)
refractive index 1.5468 (estimate)
storage temp. Sealed in dry,Room Temperature
pka3.85(at 25℃)
form Crystalline Powder
color Beige to yellow
PH2.98 at 22.8℃ and 10g/L
Water Solubility slightly soluble
Merck 14,6621
BRN 1911801
InChIKeyYBADLXQNJCMBKR-UHFFFAOYSA-N
LogP0.3 at 30℃ and pH7.72
CAS DataBase Reference104-03-0(CAS DataBase Reference)
EPA Substance Registry System4-Nitrophenylacetic acid (104-03-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-37/39
RIDADR UN 3077 9 / PGIII
WGK Germany 3
RTECS AJ1130010
Hazard Note Irritant
TSCA Yes
HS Code 29163900
Toxicitydnr-bcs 500 mg/disc MUREAV170,11,86
MSDS Information
ProviderLanguage
2-(4-Nitrophenyl)acetic acid English
ACROS English
SigmaAldrich English
ALFA English
4-Nitrophenylacetic acid Usage And Synthesis
Chemical PropertiesBeige to yellow crystalline powder
UsesIntermediate for dyestuffs, pharmaceuticals, penicillin precursors, local anesthetics.
Uses(4-Nitrophenyl)acetic Acid used in the synthesis of 5,7-dimethyl-2-aryl-3H-pyrrolizin-3-ones which may act as angiogenesis inhibitors. Also used in the one step construction of amino-substituted squaraine dye.
DefinitionChEBI: A monocarboxylic acid that is phenylacetic acid carrying a nitro substituent at position 4.
Safety ProfileModerately toxic intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Purification MethodsCrystallise the acid from EtOH/water (1:1), then from sodium-dried diethyl ether and dry it over P2O5 in vacuo. The styphnate has m 196.5-197o (prisms from EtOH). The amide has m 191o (from EtOH). [Beilstein 9 III 2284, 9 IV 1698.]

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