Phenol, p-chloro-
P-Chlorophenol
CAS: 106-48-9
Molecular Formula: C6H5ClO
Phenol, p-chloro- - Names and Identifiers
Phenol, p-chloro- - Physico-chemical Properties
| Molecular Formula | C6H5ClO |
| Molar Mass | 128.56 |
| Density | 1.306 g/mL at 25 °C (lit.) |
| Melting Point | 42-45 °C |
| Boling Point | 220 °C (lit.) |
| Flash Point | 240°F |
| Water Solubility | 2.7 g/100 mL (20 ºC) |
| Solubility | ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow |
| Vapor Presure | 1 mm Hg ( 49.8 °C) |
| Vapor Density | 4.43 (vs air) |
| Appearance | Low Melting Crystalline Mass |
| Color | White to pale yellow |
| Odor | Phenolic like 30 ppm |
| Merck | 14,2154 |
| BRN | 507004 |
| pKa | 9.18(at 25℃) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.5579 |
| Physical and Chemical Properties | Pure character is white crystal (industrial product is yellow or pink crystal.) There is an unpleasant pungent odor. melting point 43~44 ℃ boiling point 220 ℃ relative density 1.2651 refractive index 1.5579 flash point 121 ℃ solubility almost insoluble in water, soluble in benzene, ethanol, ether, glycerol, chloroform, fixed oil and volatile oil. |
| Use | For the synthesis of neutral brilliant green BL dye, pharmaceutical and pesticide, can also be used as refined mineral oil solvent |
Phenol, p-chloro- - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R50 - Very Toxic to aquatic organisms |
| Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S28A - S24/25 - Avoid contact with skin and eyes. S60 - This material and its container must be disposed of as hazardous waste. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 2020 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | SK2800000 |
| FLUKA BRAND F CODES | 10-23 |
| TSCA | Yes |
| HS Code | 29081000 |
| Hazard Class | 6.1 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 0.67 g/kg (Deichmann) |
Phenol, p-chloro- - Upstream Downstream Industry
| Raw Materials | Phenol |
| Downstream Products | Triadimefon |
Phenol, p-chloro- - Nature
Open Data Verified Data
The colorless needle-like crystal has an unpleasant odor. The melting point was 42-43 °c. Boiling point 217 °c. Refractive index 1. 5571( 40 °c). The relative density was 1.2278. Slightly soluble in water, soluble in benzene, ethanol, ether, glycerol and caustic liquid.
Last Update：2024-01-02 23:10:35
Phenol, p-chloro- - Preparation Method
Open Data Verified Data
This product has a variety of methods, there are mainly the following:
- the phenol direct chlorination method takes phenol as the raw material, and is divided into the following three methods according to the different chlorinating agents and solvents used:(1) the sulfuryl chloride method uses phenol as the raw material and sulfuryl chloride as the chlorinating agent, prepared under the action of iron catalyst. The yield of p-chlorophenol was 70% ~ 75%. Consumption quota: phenol It. Sulfuryl chloride 2.Otlt. (2) benzene solvent method with benzene as solvent, chlorine as chlorinating agent, by phenol direct chlorination of this product. (3) solvent-free chlorination method using iron, bromine and other catalysts, the chlorine gas into the molten phenol, direct chlorination to produce a chlorophenol. After washing, the reaction solution was distilled under reduced pressure to collect a fraction having a p-chlorophenol content of ≥ 95%. The rate of phenol (total ortho/para position) is ≥ 95%, the rate of chlorine is 95%, the ratio of Para/Ortho is 3~4, and the product content is ≥ 98%. Consumption quota: phenol 0. 77T, chlorine 0.58tlt; Hydrogen chloride 0. 28tlt.
- the hydrolysis method of p-dichlorobenzene is prepared by using p-dichlorobenzene as a raw material and water, alcohol or benzene as a solvent.
- p-chloroaniline was obtained by diazotization and hydrolysis.
- p-aminophenol was obtained by diazotization and substitution.
Last Update：2022-01-01 10:41:59
Phenol, p-chloro- - Use
Open Data Verified Data
This product is mainly used in pesticides, pharmaceuticals, dyes, plastics and other industries, also used as ethanol colorant, refined mineral oil selective solvent, microscopic analysis; Agricultural industry is mainly used for the synthesis of rust, trimethoprim, wool bactericide, anti-falling element, phosphorus of insect, phosphorus of poison rat, insecticide, etc.; Dye industry is used to make 1,4-= hydroxyanthraquinone, 1,4-= aminoquinone, P-aminophenol and hydroquinone; Pharmaceutical industry for the carboxylation of 5-chloro -2-Hydroxybenzoic acid sodium, synthesis of p-chlorophenoxy isobutyric acid and other drugs; Also used in the synthesis of antioxidant BHA (butyl hydroxy anisole) and so on.
Last Update：2022-01-01 10:41:58
Phenol, p-chloro- - Safety
Open Data Verified Data
-
li has a strong irritating effect on eyes, mucous membranes, respiratory tract and skin. Poisoning showed burning sensation, Cough, wheezing, laryngitis, Head Pain and Nausea. When exposed to dust, should wear Hood type electric air supply filter dust respirator.
- screw mouth glass bottle, glass bottle with pressure Mouth of Iron cover, plastic bottle or metal barrel (can) outer wood box. Store in a cool, ventilated room. Keep away from fire and heat source. Protection from direct sunlight. Handling should be light and light unloading, to prevent packaging and container damage. Attention should be paid to personal protection in sub-packing and handling operations.
Last Update：2022-01-01 10:41:59
Phenol, p-chloro- - Reference Information
| olfactory Threshold | 30 ppm |
| LogP | 2.5 at 35℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | p-chlorophenol is a white crystalline (yellow to pink when not pure)-like substance with an unpleasant odor. Soluble in water, ethanol, benzene and ether. It can volatilize with water vapor and has strong irritation. The maximum allowable concentration in the air of the workshop is 1 mg/m 3. The oral LD50 of rats was 261 mg/kg. |
| Application | p-chlorophenol is mainly used in pesticides, pharmaceuticals, dyes, plastics and other industries, and is also used as an ethanol colorant, refined mineral oil selective solvent, microscopic analysis, etc. Phenol is an important raw material for the production of certain resins, fungicides, preservatives and drugs (such as aspirin). It can also be used for the treatment of Disinfection surgical instruments and excreta, skin sterilization, itching and otitis media. |
| Application | used in the synthesis of dye neutral brilliant green BL, medicinal antoamine and pesticide, etc, it can also be used as a solvent for refined mineral oil microscopic analysis, pharmaceutical and dye intermediates, alcohol denaturants, solvents. for microscope analysis; For the synthesis of dye neutral brilliant green BL, pharmaceutical Antoin and pesticides, can also be used as a solvent for refined mineral oil; For pesticides, pharmaceuticals, dyes, plastics and other industries, also used as ethanol colorant, refined mineral oil selective solvent, microscopic analysis, etc. microscopic analysis, pharmaceutical and dye intermediates, alcohol denaturant, solvent. This product is mainly used for pesticides; Medicine; Dyes; Plastics and other industries, also used as ethanol colorants; Refined mineral oil selective solvent; Microscopic analysis; Agricultural industry is mainly used for the synthesis of rust; Trimethoprim; wool bactericide; Anti-fall agent; P. Falciparum; P. Poison; Insecticide, etc., used in the manufacture of pesticide bactericide 5, 5 'dichloro-2, 2' dihydroxydiphenylmethane and plant growth promoter; Dye industry for the preparation of 1, 4-dihydroxyanthraquinone, 1, 4-diaminoanthraquinone, p-aminophenol and hydroquinone; the pharmaceutical industry is used to carboxylate sodium 5-chloro-2-hydroxybenzoate, synthesize p-chlorophenoxyisobutyric acid and other drugs; Also used to synthesize antioxidant BHA (butyl hydroxyanisole) and so on. |
| production methods | This product has a variety of production methods, there are mainly the following: 1. Phenol direct chlorination method with phenol as raw material, according to the different chlorinating agent and solvent used, is divided into the following three methods:(1) sulfuryl chloride method of phenol heating and melting, cooling to 40 deg C, slowly add sulfuryl chloride, about 40-45min to add, and then stirred for 4H, heated to 30-40 ℃ for 4h,40-45 ℃ for 4H, the reaction tail gas is absorbed by alkali solution, the reaction is cooled to room temperature, water, the 10% sodium carbonate solution and water were sequentially washed and distilled under reduced pressure to obtain p-chlorophenol from 110-115 ℃(2.67kPa) fraction. The yield of p-chlorophenol was 70%-75%. At the same time, 25-30% of the by-product O-chlorophenol was generated. About 1000kg of phenol and about 2000kg of sulfuryl chloride are consumed per ton of p-chlorophenol. (2) benzene solvent method with benzene as solvent, chlorine as chlorinating agent, by phenol direct chlorination of this product. (3) solvent-free chlorination method using iron, bromine and other catalysts, the chlorine gas into the molten phenol, direct chlorination to produce a chlorophenol. After washing, the reaction solution was distilled under reduced pressure to collect a fraction having a p-chlorophenol content of ≥ 95%. The rate of phenol (total ortho/para position) is ≥ 95%, the rate of chlorine is 95%, the ratio of Para/Ortho is 3-4, and the product content is ≥ 98%. Raw material consumption quota: phenol 0.77t/t, chlorine 0.58t/t. The by-product hydrogen chloride was 0.28t/t. The hydrolysis of p-chlorobenzene is prepared by using p-dichlorobenzene as raw material and water or alcohol or benzene as solvent. 3. Chlorinating solution of O-chlorophenol and p-chlorophenol mixed with 2, 4-dichlorophenol obtained from the chlorination of sodium phenolate. The high boiling point fraction at 85-132 °c (2.0kPa) was collected by fractional distillation under reduced pressure, cooled to below 10 °c, and then p-chlorophenol was precipitated and separated. The yield was about 25%. 4. Derived from p-aminophenol by diazotization, cuprous chloride replacement. From p-chloroaniline by diazotization, hydrolysis, elimination and derived. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | intraperitoneal-rat LD50: 281 mg/kg; Oral-mouse LD50: 367 mg/kg |
| stimulation data | Skin-rabbits 2 mg/24 h moderate; eye-rabbit 0.25 mg/24 h severe |
| flammability hazard characteristics | flammable in case of open flame; Toxic chloride fumes from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from oxidants and food additives |
| extinguishing agent | carbon dioxide, foam, sand, water mist. |
| Occupational Standard | TWA 1 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:45
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Raw Materials for Phenol, p-chloro-
Downstream Products for Phenol, p-chloro-