4-Chlorophenol CAS 106-48-9
Introduction：Basic information about 4-Chlorophenol CAS 106-48-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Chlorophenol Basic information
| Product Name: | 4-Chlorophenol |
| Synonyms: | 4-chloro-1-hydroxybenzene;chlorophenols,solid;p-Chlorfenol;p-chlorfenol(czech);p-chlorophenicacid;p-chloro-pheno;Phenol, 4-chloro-;Phenol, p-chloro- |
| CAS: | 106-48-9 |
| MF: | C6H5ClO |
| MW: | 128.56 |
| EINECS: | 203-402-6 |
| Product Categories: | Chloride chemicals;Alpha sort;C;CAlphabetic;CH;Pesticides&Metabolites;Aromatic Phenols;Organics;Organic Building Blocks;Oxygen Compounds;Phenols;Volatiles/ Semivolatiles;API;Halogenated Heterocycles;PhenolsAnalytical Reagents;Waste Water;Water Test;Building Blocks;C6 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Potable- &Waste Water;Waste-Water Testing;Analytical Reagents;Analytical/Chromatography;alcohol| alkyl chloride;ARIMIDEX;intermediates;bc0001;T0001 |
| Mol File: | 106-48-9.mol |
4-Chlorophenol Chemical Properties
| Melting point | 42-45 °C |
| Boiling point | 220 °C (lit.) |
| density | 1.306 g/mL at 25 °C (lit.) |
| vapor density | 4.43 (vs air) |
| vapor pressure | 1 mm Hg ( 49.8 °C) |
| refractive index | 1.5579 |
| Fp | 240 °F |
| storage temp. | 2-8°C |
| solubility | ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow |
| pka | 9.18(at 25℃) |
| form | Low Melting Crystalline Mass |
| color | White to pale yellow |
| Odor | Phenolic |
| PH | 5 (20°C in H2O) |
| Odor Threshold | 30 ppm |
| Water Solubility | 2.7 g/100 mL (20 ºC) |
| Sensitive | Air Sensitive |
| Merck | 14,2154 |
| BRN | 507004 |
| Dielectric constant | 9.5（54.0℃） |
| Stability: | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron. |
| Major Application | agriculture environmental forensics and toxicology pharmaceutical (small molecule) |
| Cosmetics Ingredients Functions | ANTIMICROBIAL |
| InChI | 1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| InChIKey | WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cl)cc1 |
| LogP | 2.5 at 35℃ |
| CAS DataBase Reference | 106-48-9(CAS DataBase Reference) |
| NIST Chemistry Reference | p-Chlorophenol(106-48-9) |
| EPA Substance Registry System | p-Chlorophenol (106-48-9) |
Safety Information
| Hazard Codes | Xn,N |
| Risk Statements | 20/21/22-51/53-50 |
| Safety Statements | 28-61-28A-24/25-60-36/37 |
| RIDADR | UN 2020 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | SK2800000 |
| F | 10-23 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29081000 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 2 Eye Dam. 1 Skin Corr. 1B |
| Hazardous Substances Data | 106-48-9(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 0.67 g/kg (Deichmann) |
| Chemical Properties | off-white to light tan crystals or powder |
| Chemical Properties | All isomers have a characteristic odor. |
| Uses | Intermediates of Liquid Crystals |
| Uses | antineoplastic |
| Uses | Biocide; disinfectant for home, hospital and farm. |
| Uses | It is used as main raw material of compounding for medicine, dye, plastic and other industries. 4-Chlorophenol was used in visible-light-induced degradation of 4-chlorophenol in aqueous suspension of pure TiO2. |
| Definition | ChEBI: A monochlorophenol substituted at the pare position by a chlorine atom. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 50, p. 2145, 1985 DOI: 10.1021/jo00212a029 Tetrahedron Letters, 24, p. 3117, 1983 DOI: 10.1016/S0040-4039(00)88111-3 |
| General Description | White crystals with a strong phenol odor Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible. Used as an intermediate in organic synthesis of dyes and drugs. |
| Air & Water Reactions | Slightly soluble to soluble in water. |
| Reactivity Profile | CHLOROPHENOLS, SOLID are incompatible with acid chlorides, acid anhydrides and oxidizing agents. Also incompatible with iron . Liquefy and darken in color at temperatures above 108°F. |
| Hazard | Toxic by skin absorption, inhalation, oringestion; strong irritant to tissue. |
| Health Hazard | Inhalation causes headache, dizziness, weak pulse. Ingestion causes irritation of mouth and stomach; headache, dizziness, weak pulse. Contact with eyes causes severe irritation and burning. Contact with skin causes irritation and burn; if absorbed, causes same symptoms as inhalation. |
| Fire Hazard | Special Hazards of Combustion Products: Toxic and irritating hydrogen chloride and chlorine gases may form in fires. |
| Flammability and Explosibility | Not classified |
| Safety Profile | Poison by inhalation and intraperitoneal routes. Moderately toxic by ingestion, skin contact, and subcutaneous routes. A severe skin and eye irritant. Human systemic effects by inhalation: excitement, irritability. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use water, spray, mist, fog, foam, dry chemical. When heated to decomposition it emits toxic fumes of Cl-. See also CHLOROPHENOLS and CHLORIDES. |
| Potential Exposure | Monochlorophenols are used in themanufacture of fungicides, slimicides, bactericides, pesticides, herbicides, disinfectants, wood and glue preservatives; in the production of phenolic resins; in the extractionof certain minerals from coal; as a denaturant for ethanol;as an antiseptic; as a disinfectant, and others. |
| Shipping | UN 2020 (solid); UN2021 (liquid) Chlorophenols, solid and liquid, Hazard Class: 6.1; Labels:6.1-Poisonous materials. |
| Purification Methods | Distil the phenol, then crystallise it from pet ether (b 40-60o) or hexane, and dry it under vacuum over P2O5 at room temperature. [Bernasconi & Paschalis J Am Chem Soc 108 2969 1986, Beilstein 6 IV 820.] |
| Incompatibilities | May form explosive mixture with air.Contact with oxidizing agents can cause fire and explosionhazard. Heat produces hydrogen chloride and chlorine.Corrosive to aluminum, copper and other chemically activemetals. |
| Waste Disposal | Incinerate in admixture withflammable solvent in furnace equipped with afterburnerand scrubber. |
4-Chlorophenol Preparation Products And Raw materials
| Raw materials | Phenol-->Sulfuryl chloride-->2,4-Dichlorophenol-->2-Chlorophenol-->p-Dichlorobenzene |
| Preparation Products | Triadimefon-->1,4-Dihydroxyanthraquinone-->2,6-DIFORMYL-4-CHLOROPHENOL-->5-chloro-m-xylene-2,alpha,alpha'-triol-->2-(2-CHLOROETHOXY)-BENZENESULFONAMIDE-->4-CHLOROPHENOXYACETYL CHLORIDE-->Triadimenol-->4-Chlorophenoxyacetic acid-->3,4'-Dichlorodiphenyl ether-->4-CHLOROPHENETOLE-->Chlorzoxazone-->4-Hydroxyphenylboronic acid pinacol ester-->Dichlorophen-->ALUMINUM CLOFIBRATE-->4-Mercaptophenol-->4,4'-Biphenol-->4-(Trifluoromethoxy)chlorobenzene-->Mefentrifluconazole-->Azoic Diazo Component 33-->1,4-Dihydroxyanthraquinone |
