4-Nitrophenylacetic acid
- CAS NO.：104-03-0
- Empirical Formula: C8H7NO4
- Molecular Weight: 181.15
- MDL number: MFCD00007383
- EINECS: 203-168-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-30 14:17:11
What is 4-Nitrophenylacetic acid?
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.
The Uses of 4-Nitrophenylacetic acid
Intermediate for dyestuffs, pharmaceuticals, penicillin precursors, local anesthetics.
The Uses of 4-Nitrophenylacetic acid
(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.
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.]
Properties of 4-Nitrophenylacetic acid
| 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 |
| form | Crystalline Powder |
| pka | 3.85(at 25℃) |
| color | Beige to yellow |
| PH | 2.98 at 22.8℃ and 10g/L |
| Water Solubility | slightly soluble |
| Merck | 14,6621 |
| BRN | 1911801 |
| CAS DataBase Reference | 104-03-0(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Nitrophenylacetic acid (104-03-0) |
Safety information for 4-Nitrophenylacetic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Environment GHS09 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Nitrophenylacetic acid
| InChIKey | YBADLXQNJCMBKR-UHFFFAOYSA-N |
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