Grundinformationen
- Standard-SMILES
O=C(CCl)c1ccc(Cl)cc1Cl- InChIKey
VYWPPRLJNVHPEU-UHFFFAOYSA-N- Summenformel
- C8H5Cl3O
- Durchschnittliche Molmasse
- 223,5 g/mol
- Monoisotopische Masse
- 221,94059782
Überblick
2,2',4'-trichloroacetophenone is an off-white crystalline solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,2',4'-Trichloroacetophenone
- IUPAC
- 2-chloro-1-(2,4-dichlorophenyl)ethanone
- Lokaler Name
- 2,2',4'-Trichloracetophenon
- Englischer Name
- 2,2',4'-Trichloroacetophenone
- Summenformel
- C8H5Cl3O
- Molmasse
- 223.48
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4252-78-2- PubChem CID
- 20250
- DTXSID
DTXSID3026190- ChEMBL
CHEMBL1569226- UNII
- 2E35P7HJI2
- EC Number
- 224-218-2
- Nikkaji
- J199F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 172
Experimentelle und physikochemische Eigenschaften
Flash Point
greater than 235 °F (NTP, 1992)
Flash Point > 235 °F
Physical Description
2,2',4'-trichloroacetophenone is an off-white crystalline solid. (NTP, 1992)
Off-white crystalline solid; [CAMEO] Melting point = 52-55 deg C; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 47 · 47-54 °C(lit.)
- Siedepunkt
- 130 · 130-135 °C4 mm Hg(lit.)
- Dichte
- 1 · 1,312 g/cm3
- Brechungsindex
- 1.551 · 1.5510 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- 60 mg/L · 60 mg/L (20°C)
- Aggregatzustand
- Solid
- Farbe
- beige to yellow
- PH
- 4.96 at · 4.96 at 25.1℃ and 10g/L
- Wasserlöslichkeit
- 60 mg/L · 60 mg/L (20 ºC)
- BRN
- 957098 · 957098
- InChI
- 1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
- InChIKey
- VYWPPRLJNVHPEU-UHFFFAOYSA-N
- SMILES
- ClCC(=O)c1ccc(Cl)cc1Cl
- CAS Datenbank
- 4252 · 4252-78-2(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Ethanone, 2-chloro-1-(2,4-dichlorophenyl)- (4252-78-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (49.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 02-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16015
2,2',4'-Trichloroacetophenone: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include corrosion and lachrymation. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting.
Hazards Summary
A corrosive substance that can cause severe injury to the skin, eyes, mucous membranes and respiratory tract; A lachrymator; [CAMEO] Toxic if swallowed; An irritant; Causes burns; May cause chemical pneumonitis after inhalation of high concentrations; [MSDSonline]
Sicherheit und Schutzausrüstung
First Aid
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.
Nonfire Spill Response
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.
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1759
- hs_code
- 29147090
- risk_code
- 37/38-41-43-51/53-34-23/24/25
- hazard_code
- Xi,C,N,T
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-61-45-37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Anwendungen
Verwendenα,2,4-Trichloroacetophenone is a reagent used in the synthesis of isoconazole, a potent antifungal agent.
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