5'-Chloro-2'-hydroxy-4'-methylacetophenone
Grundinformationen
- CAS
28480-70-8- Standard-SMILES
CC(=O)c1cc(Cl)c(C)cc1O- InChIKey
HDUSGGZSLVCDKY-UHFFFAOYSA-N- Summenformel
- C9H9ClO2
- Durchschnittliche Molmasse
- 184,62 g/mol
- Monoisotopische Masse
- 184,02910721
Namen und Bezeichner
- Bevorzugter Name
- 5'-Chloro-2'-hydroxy-4'-methylacetophenone
- IUPAC
- 1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
- Englischer Name
- 5'-CHLORO-2'-HYDROXY-4'-METHYLACETOPHENONE
- Summenformel
- C9H9ClO2
- Molmasse
- 184.62
Namen und Synonyme
28480-70-85'-Chloro-2'-hydroxy-4'-methylacetophenoneDTXSID90344607RefChem:527473DTXCID10295682624-873-81-(5-chloro-2-hydroxy-4-methylphenyl)ethanone1-(5-chloro-2-hydroxy-4-methylphenyl)ethan-1-oneEthanone, 1-(5-chloro-2-hydroxy-4-methylphenyl)-MFCD001919202-Acetyl-4-chloro-5-methylphenol5-Chloro-2-hydroxy-4-methylacetophenone
Weitere Namen anzeigen
5'-Cloro-2'-Hydroxy-4'-Methylacetophenone5'-Chooro-2'-Hydroxy-4'-Methylacetophenone5'-Chloro-2'-hydroxy-4'-methylacetophenone >5'-Chloro-2'-hydroxy-4'-methylacetophenone 98%
4-Acetyl-2-chloro-5-hydroxytolueneSTK819453EN300-7408519Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)-5-Chloro-2-hydroxy-4-A8194711-(5-Chloro-2-hydroxy-4-methyl-phenyl)-ethanoneSCHEMBL2011117
Datenbank-Bezeichner
- CAS
28480-70-8- PubChem CID
- 598229
- DTXSID
DTXSID90344607- EC Number
- 624-873-8
- Nikkaji
- J1.296.785C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 181
Physikochemische Eigenschaften
- Schmelzpunkt
- 70 · 70-73 °C(lit.)
- Siedepunkt
- 137 °C · 137 °C / 15mmHg
- Dichte
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- pka
- 9.84 · 9.84±0.23(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
- InChIKey
- HDUSGGZSLVCDKY-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC(Cl)=C(C)C=C1O)C
- CAS Datenbank
- 28480 · 28480-70-8(CAS DataBase Reference)
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2914.50.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden5′-Chloro-2′-hydroxy-4′-methylacetophenone (5-chloro-2-hydroxy-4-methylacetophenone) may be used in the preparation of the following:chalcones, required for the synthesis of novel pyrazoline derivatives5′-chloro-2′-hydroxy-4′-methyl-3-(2′′-thienyl)acrylophenone6-chloro-3-hydroxy-7-methyl-2-(2-thienyl)-4H-chromen-4-one, a complexing agent used for the spectrophotometric determination of vanadium(V)
Darstellung
synthetischePreparation by reaction of acetic acid on 4-chloro-3- methylphenol with boron trifluoride at 70–100° (80–85%).
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