Dibenzo[b,f]cyclohepten-1-on

DIBENZOSUBERENONE · Dibenzo[a,d]cyclohepten-5-one · 5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE · NSC 86151 · Dibenzosberenone · 5-DIBENZOSUBERENONE · DIBENZOSUBERENONE-5 · Dibenzosuberenone>Dibenzosuberenone,97%

https://huagongshe.com/de/chemical/16679

Molekülstruktur von Dibenzo[b,f]cyclohepten-1-on

Identifikatoren & physikalische Daten

CAS No.	2222-33-5
Summenformel	C15H10O
Durchschnittliche Molmasse	206,24 g/mol
Monoisotopische Masse	206,07316494 g/mol
SMILES	O=c1c2ccccc2ccc2ccccc12
InChIKey	SNVTZAIYUGUKNI-UHFFFAOYSA-N
PubChem CID	16679
ChEMBL	CHEMBL1535826
EC No.	218-737-3
DTXSID	DTXSID4062274
Lokaler Name	Dibenzo[b,f]cyclohepten-1-on

Chemische & physikalische Eigenschaften

XLogP	4,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	16
Formalladung	0
Komplexität	277
Schmelzpunkt	87-88 °C (lit.)
Siedepunkt	210 °C / 3mmHg
Dichte	1.0701 (rough estimate)
Dampfdruck	0.006Pa at 25℃
Brechungsindex	1.6324 (estimate)
Flammpunkt	>110℃
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly)Soluble in chloroform, ethyl acetate. Insoluble in water.
Aggregatzustand	Crystalline Powder
Wichte	1.156
Farbe	White to pale yellow or beige
BRN	743171
InChI	1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
InChIKey	SNVTZAIYUGUKNI-UHFFFAOYSA-N
SMILES	O=C1c2ccccc2C=Cc3ccccc13
LogP (Verteilungskoeffizient)	3.508 at 25℃
CAS Datenbank	2222-33-5(CAS DataBase Reference)
NIST chemische Informationen	5H-Dibenzo[a,d]cyclohepten-5-one(2222-33-5)
EPA chemische Informationen	5H-Dibenzo[a,d]cyclohepten-5-one (2222-33-5)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 53.1% (26 of 49) of all reports.WarningH400 (18.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H411 (40.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 26 of 49 reports by companies.There are 5 notifications provided by 23 of 49 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.
Regulatorische Informationen	Status: Active Update: 06-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19091Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/189695H-Dibenzoa,dcyclohepten-5-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Aquatic Acute 1 (18.4%)Aquatic Chronic 2 (40.8%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	3077
Zollcode	29143990
RTECS-Nr.	HP1147500
R-Sätze (R)	36/37/38
Toxizität	mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02244,

Anwendungen & Verwendung

Verwenden

5-Dibenzosuberenone Can be used in the synthesis of a series of potent antidepressants.