CAS 79560-19-3 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone (HCID 3746251)

Namen und Bezeichner

Bevorzugter Name: 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
IUPAC: 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
Englischer Name: 4-(3,4-Dichlorophenyl)-1-tetralone
Summenformel: C16H12Cl2O
Molmasse: 291.17

Namen und Synonyme

79560-19-34-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone4-(3,4-dichlorophenyl)tetralin-1-oneDTXSID7012087054-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalene-1-oneRefChem:512838DTXCID301444589406-300-1616-703-64-(3,4-Dichlorophenyl)-1-tetralone4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-oneSertraline Tetralone

Weitere Namen anzeigen

DASO-0014-Dichlorophenyl)-34-(3,4-DichlorophenySertraline Impurity 12DichlorophenyltetraloneSertraline SRTRC-3 ImpuritySertraline Tetraong Impurityrac-Sertraline EP Impurity F4-dihydro-1(2H)-naphthalenone

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one79836-44-5MFCD02093088rac 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone4-(3,4-Dichloro-phenyl)-3,4-dihydro-2H-naphthalen-1-one1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-CS-W0194584-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-one

Datenbank-Bezeichner

CAS: 79560-19-3
PubChem CID: 3746251
DTXSID: DTXSID701208705
UNII: 2WTU3ZR4ZH
EC Number: 406-300-1、616-703-6
Nikkaji: J331.661K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 19
Formalladung: 0
Komplexität: 344

Physikochemische Eigenschaften

Schmelzpunkt: 97 · 97-99°C
Siedepunkt: 403 · 403.0±45.0 °C(Predicted)
Dichte: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
Aggregatzustand: Solid
Farbe: White to Off-White
InChI: InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2
InChIKey: JGMBHJNMQVKDMW-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(C2=CC=C(Cl)C(Cl)=C2)CC1
CAS Datenbank: 79560 · 79560-19-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (10.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (10.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H410 (86.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Regulatory Information · 1 Eintrag

Status: Active Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20027；Status: Active Update: 25-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32783；Status: Active Update: 20-08-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/9264

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)；STOT SE 3 (83.3%)；Aquatic Chronic 1 (16.7%)

Skin Irrit. 2 (10.8%)；Eye Irrit. 2A (10.8%)；STOT SE 3 (10.8%)；Aquatic Chronic 1 (86.5%)

Regulatorische Informationen

Regulatory Information · 1 Eintrag

Status: Active Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20027；Status: Active Update: 25-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32783；Status: Active Update: 20-08-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/9264