Grundinformationen
- CAS
13608-87-2- Standard-SMILES
CC(=O)c1ccc(Cl)c(Cl)c1Cl- InChIKey
BXJZZJYNVIDEKG-UHFFFAOYSA-N- Summenformel
- C8H5Cl3O
- Durchschnittliche Molmasse
- 223,5 g/mol
- Monoisotopische Masse
- 221,94059782
Überblick
2',3',4'-trichloroacetophenone is a dark gold-colored solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2',3',4'-Trichloroacetophenone
- IUPAC
- 1-(2,3,4-trichlorophenyl)ethanone
- Lokaler Name
- 2',3',4'-Trichloracetophenon
- Englischer Name
- 2',3',4'-Trichloroacetophenone
- Summenformel
- C8H5Cl3O
- Molmasse
- 223.48
Namen und Synonyme
2',3',4'-TRICHLOROACETOPHENONE1-(2,3,4-Trichlorophenyl)ethanone2,3,4-TrichloroacetophenoneCCRIS 785DTXSID2022256EINECS 237-092-9UNII-8HVD33N7858HVD33N785DTXCID502256BXJZZJYNVIDEKG-UHFFFAOYSA-TRICHLOROACETOPHENONE, 2',3',4'-UN1759
Weitere Namen anzeigen
2',3',4'-TrichloroacetonphenoneEthanone, 1-2,3,4-trichlorophenylAcetophenone, 2',3',4'-trichloro-2',3',4'-Trichloroacetophenone,95%2-Chloro-(3,4-dichlorophenyl)ethanone3,4-dichlorophenacyl chloride ,2-chloro-(3,4-dichlorophenyl)ethanone
RefChem:800082',3',4'TrichloroacetophenoneBXJZZJYNVIDEKG-UHFFFAOYSA-NInChI=1/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H313608-87-21-(2,3,4-trichlorophenyl)ethan-1-oneEthanone, 1-(2,3,4-trichlorophenyl)-MFCD00000542
Datenbank-Bezeichner
- CAS
13608-87-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 183
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point138 to 147 °F (NTP, 1992)
Physical Description
2',3',4'-trichloroacetophenone is a dark gold-colored solid. (NTP, 1992)
Dark gold-colored solid; [CAMEO] Melting point = 60-64 deg C; Insoluble in water; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 59 · 59-64 °C(lit.)
- Siedepunkt
- 144 °C · 144 °C / 8mmHg
- Dichte
- 1.4736 · 1.4736 (rough estimate)
- Brechungsindex
- 1.551 · 1.5510 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to a related 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 of exposure to this related compound include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting.
Hazards SummaryA corrosive substance that can cause severe injury to the skin, eyes, mucous membranes and respiratory tract; A lachrymator; May cause chemical pneumonitis after inhalation of high concentrations; [CAMEO] An irritant; [MSDSonline]
Reactive GroupKetones
Reactivity ProfileA related chemical is incompatible with strong oxidizers and strong bases. (NTP, 1992).
Air and Water Reactions
Chemie und Industrie
Anwendungen
Verwenden2′,3′,4′-Trichloroacetophenone was used in the effective stimulation of 1,2,3,4-tetrachlorodibenzo-p-dioxin (TeCDD) dechlorination.
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