sodium 2-chloro-4-nitrophenolate
2-Chloro-4-nitrophenol
CAS: 619-08-9
Molecular Formula: C6H4ClNO3
sodium 2-chloro-4-nitrophenolate - Names and Identifiers
| Name | 2-Chloro-4-nitrophenol |
| Synonyms | NSC 1316 Nitrofungin BRN 2046372 Nitrofurgin oro-4-nitrophenoL 2-Chloro-4-nitrophenol o-Chloro-p-nitrophenol 4-NITRO-2-CHLOROPHENOL 2-chloro-4-nitro-pheno P-NITRO-O-CHLOROPHENOL Phenol, 2-chloro-4-nitro- 2-chloro-4-nitrophenolate sodium 2-chloro-4-nitrophenolate 4-06-00-01353 (Beilstein Handbook Reference) |
| CAS | 619-08-9 |
| EINECS | 210-578-8 |
| InChI | InChI=1/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H/p-1 |
sodium 2-chloro-4-nitrophenolate - Physico-chemical Properties
| Molecular Formula | C6H4ClNO3 |
| Molar Mass | 173.55 |
| Density | 1.4914 (rough estimate) |
| Melting Point | 105-106 °C (lit.) |
| Boling Point | 290.6±25.0 °C(Predicted) |
| Flash Point | 129.6°C |
| Water Solubility | slightly soluble |
| Vapor Presure | 0.133Pa at 25℃ |
| Appearance | Bright yellow crystal |
| Color | White to beige |
| BRN | 2046372 |
| pKa | 5.43±0.22(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5810 (estimate) |
| MDL | MFCD00043910 |
| Physical and Chemical Properties | Light yellow needle-like crystals. Melting point 106 °c. Soluble in ether, ethanol, chloroform, insoluble in water. Can be volatilized with water vapor. |
| Use | For Organic synthesis |
sodium 2-chloro-4-nitrophenolate - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | 2811 |
| WGK Germany | 3 |
| RTECS | SK5075000 |
| TSCA | Yes |
| HS Code | 29089000 |
sodium 2-chloro-4-nitrophenolate - Introduction
Can volatilize with water vapor. Soluble in ethanol, ether and chloroform, slightly soluble in benzene and water. Toxic, minimum lethal dose (rat, oral) 100mg/kg. It's irritating.
Last Update：2022-10-16 17:27:13
sodium 2-chloro-4-nitrophenolate - Reference Information
| LogP | 2.55 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 2-chloro-4-nitrophenol is an organic intermediate, prepared by chlorination reaction. 2-chloro-4-nitrophenol can be used for the preparation of 2-chloro-4-aminophenol. 2-chloro-4-aminophenol is the main intermediate for the synthesis of benzoylurea insecticide diphenylflourea. intermediates in organic synthesis. for organic synthesis |
| preparation | in a thermometer, stirrer, add 60g of 500 p-nitrophenol (99% mol) and 0.427G of dichloroethane to the 240 Four-necked bottle of the reflux condenser and tail gas absorption device, stir and heat to 55-65 ℃, and open the vacuum tail gas absorption system, under the condition of micro-negative -0.01-0.02MPa, chlorine gas is introduced, and the reaction process is followed by GC until the raw material is reacted. The solvent dichloroethane is directly applied by desolvation under normal pressure, and then the residual solvent dichloroethane is distilled under reduced pressure at 10mmHg to recover the crude product O-chloro-p-nitrophenol, which is cooled to below 50 ℃ and 200g of toluene is added, after warming up to total dissolution, slowly cooling down to natural precipitation, cooling down to (0-5)℃ in ice bath, stirring for one hour, then filtering, drying to obtain 71.5g of 2-chloro-4-nitrophenol, yield 95.1%,GC qualitative content was 99%. |
| production method | is obtained by chlorination of p-nitrophenol. P-nitrophenol and concentrated hydrochloric acid were mixed and dissolved by heating. After cooling, potassium chlorate aqueous solution was slowly added, and the mixture was stirred for half an hour. The mixture was left overnight, filtered, and washed with water to remove the acidity. The crude product is dissolved in hot water of 80-90 ℃ and a little acetic acid, decolorized and filtered, cooled, and the needle-like crystals are the finished product. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 900 mg/kg; Intraperitoneal-mouse LD50: 80 mg/kg |
| explosive hazard characteristics | impact or thermal explosion |
| flammability hazard characteristics | open flame flammability; Thermal decomposition of toxic nitrogen oxides and chloride gases |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored and transported separately from food raw materials |
| fire extinguishing agent | carbon dioxide, sand, foam, water mist |
Last Update：2024-04-09 21:04:16
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