Introduction：Basic information about 4-Nitrophenylacetic acid CAS 104-03-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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 |
| 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 |
| InChI | 1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | YBADLXQNJCMBKR-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(cc1)[N+]([O-])=O |
| 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) |
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 | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1 |
| Toxicity | dnr-bcs 500 mg/disc MUREAV170,11,86 |
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 | Intermediate 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. |
| 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
| Raw materials | p-Nitrophenylacetonitrile |
| Preparation Products | 4-Aminophenylacetic acid-->1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE-->Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate-->Ethyl 4-aminophenylacetate-->Ethyl 4-nitrophenylacetate-->4-Chloro-5-(4-nitro-phenyl)-nicotinonitrile-->N-methoxy-N-methyl-2-(4-nitrophenyl)acetamide |
