Grundinformationen
- Standard-SMILES
CCC(=O)c1ccc(O)cc1- InChIKey
RARSHUDCJQSEFJ-UHFFFAOYSA-N- Summenformel
- C9H10O2
- Durchschnittliche Molmasse
- 150,17 g/mol
- Monoisotopische Masse
- 150,06807956
Überblick
P-Hydroxypropiophenone is a member of acetophenones.
Namen und Bezeichner
- Bevorzugter Name
- 4'-Hydroxypropiophenone
- IUPAC
- 1-(4-hydroxyphenyl)propan-1-one
- Lokaler Name
- Paroxypropion
- Englischer Name
- 4'-Hydroxypropiophenone
- Summenformel
- C9H10O2
- Molmasse
- 150.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
70-70-2- PubChem CID
- 6271
- DTXSID
DTXSID8023426- ChEMBL
CHEMBL312311- ChEBI
CHEBI:32352- UNII
- X9952001TG
- EC Number
- 200-743-2
- Nikkaji
- J4.879H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 134
Physikochemische Eigenschaften
- Schmelzpunkt
- 36 · 36-38 °C(lit.)
- Siedepunkt
- 152 · 152-154 °C26 mm Hg(lit.)
- Dichte
- 1.09 g/cm3 · 1.09 g/cm3 (20℃)
- Brechungsindex
- 1.536 · 1.5360 (estimate)
- FEMA
- 2005 · 2005 | ACETANISOLE
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 8.87 · 8.87±0.26(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White
- Wasserlöslichkeit
- 0.34 g/l · 0.34 g/l (15 ºC)
- Merck
- 14 · 14,7044
- BRN
- 907511 · 907511
- InChI
- 1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
- InChIKey
- RARSHUDCJQSEFJ-UHFFFAOYSA-N
- SMILES
- CCC(=O)c1ccc(O)cc1
- LogP
- 2.03 · 2.030
- CAS Datenbank
- 70 · 70-70-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Propanone, 1-(4-hydroxyphenyl)-(70-70-2)
- EPA chemische Informationen
- 1 · 1-Propanone, 1-(4-hydroxyphenyl)- (70-70-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
Warning
H315 (95.8%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145000
- RTECS-Nr.
- UH1925000
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: 11800 mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 37-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenIntermediates of Liquid Crystals
Darstellung
synthetischePreparation by Fries rearrangement of phenyl propionatewith aluminium chloride in refluxing carbon disulfide then at 130–150° for 2–3 h after solvent elimination (45–50%)with aluminium chloride in nitrobenzene at 50° for 18 h (72%) or at 20° for 48 h (60%) with aluminium chloride in nitromethane at 20° for 7–8 days (80%) with aluminium chloride in chlorobenzene using microwave irradiation for 3 min at 106° (62%) with aluminium chloride in ethylene dichloride at 95° for 5 h or in heptane at 80–90° for 7 h (36%), in benzene or in tetrachloroethane at 80°; with aluminium chloride in the presence of propionyl chloride at 50–60° for 6 h (49%)with aluminium chloride without solvent at 50° for 10 h with titanium tetrachloride in nitromethane at 20° for 7 days (56%) or without solvent at 50° for 10 h (39%) with polyphosphoric acid at 100° (61%) with boron trifluoride at 50° for 3 h (46%) with stannic chloride at 50° for 3 h (10%).
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