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2,3,5-Trichlorphenol
2,3,5-TCP · 2.3.5-Trichlor · 2,3,5-tcp solution · 2,3,5-Trichlorophenol · Phenol, 2,3,5-trichloro- · 2,3,5-Trichlorophenol,99% · 2 3 5-TRICHLOROPHENOL 97% · 2,3,5-trichlorophenol solution
Identifikatoren & physikalische Daten
| CAS No. | 933-78-8 |
|---|---|
| Summenformel | C6H3Cl3O |
| Durchschnittliche Molmasse | 197,4 g/mol |
| Monoisotopische Masse | 195,92494776 g/mol |
| SMILES | Oc1cc(Cl)cc(Cl)c1Cl |
| InChIKey | WWGQHTJIFOQAOC-UHFFFAOYSA-N |
| PubChem CID | 13619 |
| ChEMBL | CHEMBL1569358 |
| EC No. | 213-272-2 |
| DTXSID | DTXSID0026208 |
| Lokaler Name | 2,3,5-Trichlorphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 3.83.84 |
| Löslichkeit | less than 1 mg/mL at 61 °F (NTP, 1992)Solubility in water: poorChloroform (Slightly), Methanol (Slightly, Heated)771mg/L(25 ºC) |
| Siedepunkt | 478 to 480 °F at 760 mmHg (NTP, 1992)248-253 °C248-249 °C |
| Schmelzpunkt | 135 to 138 °F (NTP, 1992)62 °C57-60 °C |
| Dampfdichte | Relative vapor density (air = 1): 6.8 |
| Physical Description | Long colorless needles or white chalky solid. (NTP, 1992)COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. |
| Dichte | 1.5701 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | 2 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystal |
| pKa (Säurekonstante) | 6.57±0.15(Predicted) |
| Farbe | White to Off-White |
| BRN | 2046862 |
| Henry-Konstante | 2.5×100 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| InChI | InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H |
| InChIKey | WWGQHTJIFOQAOC-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(Cl)=CC(Cl)=C1Cl |
| CAS Datenbank | 933-78-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2,3,5-Trichlorophenol (933-78-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Phenol, 2,3,5-trichloro-: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound include painless blanching or erythema, vomiting, collapse, coma, profuse sweating, intense thirst, nausea, diarrhea, cyanosis, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis, convulsions and pulmonary edema followed by pneumonia. Other symptoms include irritation of the skin with redness and edema, burns, irritation of the eyes, nose and pharynx, and corneal injury. Exposure can cause irritation of the mucous membranes and respiratory tract, and severe destruction of tissue (depending on the intensity and duration of exposure). Symptoms of exposure to a related compound include softening and whitening of the skin followed by the development of painful burns, headache, dizziness, rapid and difficult breathing and weakness. Ingestion of a related compound causes severe burns and internal damage. Chronic exposure may cause digestive disturbances, nervous disorders, skin eruptions, dermatitis, liver damage and kidney damage. Skin contact may result in redness, edema and burns. Eye contact may cause irritation and corneal injury. |
| Reaktive Gruppe | Phenols and Cresols |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: III |
| Reactivity Profile | 2,3,5-TRICHLOROPHENOL is incompatible with acid chlorides, acid anhydrides and oxidizing agents (NTP, 1992). |
| Chemical Dangers | Decomposes on heating and on contact with strong oxidants. This produces toxic and corrosive fumes including hydrogen chloride. Decomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride. The substance is a weak acid. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| Air and Water Reactions | Very hygroscopic. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use foam, dry powder, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. Refer for medical attention . |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Sichere Lagerung | Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. Separated from strong oxidants and food and feedstuffs. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Eye Prevention | Wear safety goggles or eye protection in combination with breathing protection if powder. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | Evaporation at 20 °C is negligiblea harmful concentration of airborne particles can, however, be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion. |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. The substance may cause long-term effects in the aquatic environment. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal. |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | 2020 |
| Zollcode | 2908190090 |
| RTECS-Nr. | SN1295000 |
| R-Sätze (R) | 36/38-22-51/53-36/37/38-36-20/21/22-11-50/53 |
| Gefahrensymbole | Xn,N,F |
| Sicherheitshinweise (S) | 37/39-26-61-36/37-16 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2,3,5-Trichlorophenol is a halogenated phenol with possible toxic effects.