Introduction：Basic information about 4-Chloro-3-nitrobenzoic acid CAS 96-99-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Chloro-3-nitrobenzoic acid Basic information
| Product Name: | 4-Chloro-3-nitrobenzoic acid |
| Synonyms: | 4-Chloro-3-nitrobenzoic acid, 99.5%, 99.5%;4-Nitro-3-chloro benzoic acid;Chlorine - 4-3 - nitro benzoic acid;RARECHEM AL BO 0284;LABOTEST-BB LT00013440;BENZOIC ACID, 4-CHLORO-3-NITRO-;CHLORO(4-)-3-NITROBENZOIC ACID;4-CHLORO-3-NITROBENZOIC ACIC |
| CAS: | 96-99-1 |
| MF: | C7H4ClNO4 |
| MW: | 201.56 |
| EINECS: | 202-550-9 |
| Product Categories: | API Intermediate;C7;Carbonyl Compounds;Carboxylic Acids;Benzoic acid;Organic acids;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;1;john's |
| Mol File: | 96-99-1.mol |
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4-Chloro-3-nitrobenzoic acid Chemical Properties
| Melting point | 180-183 °C (lit.) |
| Boiling point | 371.6±27.0 °C(Predicted) |
| density | 1.64 |
| refractive index | 1.6280 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.35±0.10(Predicted) |
| form | Powder |
| color | Light yellow to cream |
| Water Solubility | 342.7mg/L(temperature not stated) |
| BRN | 783626 |
| InChI | InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11) |
| InChIKey | DFXQXFGFOLXAPO-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 96-99-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-chloro-3-nitro-(96-99-1) |
| EPA Substance Registry System | Benzoic acid, 4-chloro-3-nitro- (96-99-1) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-24/25-36 |
| WGK Germany | 2 |
| RTECS | DG5425050 |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
4-Chloro-3-nitrobenzoic acid Usage And Synthesis
| Chemical Properties | white to light yellow crystal powder |
4-Chloro-3-nitrobenzoic acid Preparation Products And Raw materials
| Raw materials | Sulfuric acid-->Dichloromethane-->Nitric acid-->4-Chlorobenzoic acid-->4-Chlorobenzotrichloride-->1-Butanone, 1-(4-chloro-3-nitrophenyl)--->1-chloro-4-(chloromethyl)-2-nitrobenzene-->4-Chloro-3-nitrobenzonitrile-->4-Chlorotoluene-->4-Chloro-3-nitrobenzaldehyde |
| Preparation Products | 1-Methylimidazole-->Mebendazole-->Phenol, 4-nitro-, ion(1-) (9CI)-->2,4-dinitrophenol(1-)-->Methyl 2-oxoindole-6-carboxylate-->Malonic acid-->3-Amino-4-hydroxybenzoic acid-->2,3-Dihydro-3-(MethoxyphenylMethylene)-2-oxo-1H-indole-6-carboxylic acid Methyl ester |
