5H-Dibenzo[a,d]cyclohepten-5-one

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/ko/chemical/16679

식별자 및 물리적 특성

CAS No.	2222-33-5
분자식	C15H10O
평균 분자량	206.24 g/mol
단동위원소 질량	206.07316494 g/mol
SMILES	O=c1c2ccccc2ccc2ccccc12
InChIKey	SNVTZAIYUGUKNI-UHFFFAOYSA-N
PubChem CID	16679
ChEMBL	CHEMBL1535826
EC No.	218-737-3
DTXSID	DTXSID4062274

화학 및 물리적 성질

XLogP	4.2
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	16
형식 전하	0
복잡도	277
녹는점	87-88 °C (lit.)
끓는 점	210 °C / 3mmHg
밀도	1.0701 (rough estimate)
증기압	0.006Pa at 25℃
굴절률	1.6324 (estimate)
인화점	>110℃
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태	결정성 분말
비중	1.156
색상	흰색에서 연한 노란색 또는 베이지색
용해도	에 용해됨클로로포름, 에틸 아세테이트에 용해됩니다. 물에 불용성.
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(분배 계수)	3.508 at 25℃
NIST	5H-Dibenzo[a,d]cyclohepten-5-one(2222-33-5)
EPA	5H-Dibenzo[a,d]cyclohepten-5-one (2222-33-5)

화학적 성질

5-Dibenzosuberenone is white to pale yellow or beige crystalline powder

안전 및 규제

GHS 분류	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.
규제 정보	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%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	HP1147500
운송 번호(UN)	3077
독성	mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02244,
관세 코드	29143990
위험 문구(R)	36/37/38

용도

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