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4-Nitrophenylacetic acid

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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
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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
pka
3.85(at 25℃)
form 
Crystalline Powder
color 
Beige to yellow
PH
2.98 at 22.8℃ and 10g/L
Water Solubility 
slightly soluble
Merck 
14,6621
BRN 
1911801
InChIKey
YBADLXQNJCMBKR-UHFFFAOYSA-N
LogP
0.3 at 30℃ and pH7.72
CAS DataBase Reference
104-03-0(CAS DataBase Reference)
EPA Substance Registry System
4-Nitrophenylacetic acid (104-03-0)
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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
Toxicity
dnr-bcs 500 mg/disc MUREAV170,11,86

MSDS

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4-Nitrophenylacetic acid Usage And Synthesis

Chemical Properties

Beige to yellow crystalline powder
4-Nitrophenylacetic acid is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group.

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.

Uses

Intermediate for dyestuffs, pharmaceuticals, penicillin precursors, local anesthetics.

Definition

ChEBI: A monocarboxylic acid that is phenylacetic acid carrying a nitro substituent at position 4.

Safety Profile

Moderately toxic intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Purification Methods

Crystallise 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-Nitrophenylacetic acid Preparation Products And Raw materials

Preparation Products

Raw materials

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