4-Nitrophenylacetic acid

4-Nitrophenylacetic acid Basic information
Product Name:4-Nitrophenylacetic acid
Synonyms:LABOTEST-BB LT00032156;4-NITROPHENYLACETIC ACID;4-Nitrobenzencacetic;4-Nitrophenylacetic acid 98%;4-Nitrophenylacid acid;4-Nitrobenzencacetic Acid;p-NITROPHENYLACETIC ACID pure;-Nitro-a-toluic acid
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 Structure
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
SigmaAldrich English
ACROS English
ALFA English
4-Nitrophenylacetic acid Usage And Synthesis
Chemical PropertiesBeige to yellow crystalline powder
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.
UsesIntermediate for dyestuffs, pharmaceuticals, penicillin precursors, local anesthetics.
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.]
4-NITRO-1-NAPHTHALENE ACETIC ACID 2-Nitrophenylacetic acid trimethylsilyl ester Ethyl 2-(Chlorosulfonyl)acetate 2-OXOPROPYL 2-(4-NITROPHENYL)ACETATE 4-CHLORO-3-NITROPHENYLACETIC ACID ALPHA-METHYL-4-NITROPHENYLACETIC ACID,α-Methyl-4-nitrophenylacetic acid 5-CARBOXY-2-NITROPHENYLACETIC ACID 4-NITROPHENYLSUCCINIC ACID α-Ethyl-4-nitrophenylacetic acid BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER P-NITROPHENYLACETIC ACID-OSU,P-nitrophenylacetic acid*N-hydroxysuccinimide est METHYL 2,4-DINITROPHENYLACETATE p-Nitrophenylacetic acid sodium salt,4-NITROPHENYLACETIC ACID SODIUM SALT 99+%,4-NITROPHENYLACETIC ACID SODIUM SALT (4-Nitrophenyl)methyl 3-oxobutanoate 4,5-DICHLORO-2-NITROPHENYLACETIC ACID Nitrophenyl 4-NITROPHENYLGLYOXYLIC ACID 2-METHYL-3-NITROPHENYLACETIC ACID

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