Grundinformationen
- Standard-SMILES
COc1ccc2c(c1)C(=O)CC2- InChIKey
UJGDLLGKMWVCPT-UHFFFAOYSA-N- Summenformel
- C10H10O2
- Durchschnittliche Molmasse
- 162,18 g/mol
- Monoisotopische Masse
- 162,06807956
Namen und Bezeichner
- Bevorzugter Name
- 6-Methoxy-1-Indanone
- IUPAC
- 6-methoxy-2,3-dihydroinden-1-one
- Englischer Name
- 6-Methoxy-1H-indanone
- Summenformel
- C10H10O2
- Molmasse
- 162.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13623-25-1- PubChem CID
- 334036
- DTXSID
DTXSID60318971- EC Number
- 603-948-9
- Nikkaji
- J266.765G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 188
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 · 105-109 °C (lit.)
- Siedepunkt
- 228.88 °C · 228.88°C (rough estimate)
- Dichte
- 1.0281 · 1.0281 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Fine Crystalline Powder
- Farbe
- White to yellow
- BRN
- 1238602 · 1238602
- InChI
- InChI=1S/C10H10O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3
- InChIKey
- UJGDLLGKMWVCPT-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(OC)=C2)CC1
- CAS Datenbank
- 13623 · 13623-25-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36/37-36-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Anwendungen
VerwendenIndanone derivative as a1-adrenoceptor antagonist.
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