Sertraline ketone

DASO-005 · Sertraline Tetralone (S)-IsoMer · Sertraline EP Impurity F Enantiomer · (S)-4-(3,4-Dichlorophenyl)-1-tetralon · (S)-4-(3,4-Dichlorophenyl)-1-tetralone · (4S)-4-(3,4-dichlorophenyl)-1-tetralone · 4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE · 4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE

https://huagongshe.com/ko/chemical/1474501

식별자 및 물리적 특성

CAS No.	124379-29-9
분자식	C16H12Cl2O
평균 분자량	291.2 g/mol
단동위원소 질량	290.0265204 g/mol
SMILES	O=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey	JGMBHJNMQVKDMW-NSHDSACASA-N
PubChem CID	1474501
EC No.	444-830-5
DTXSID	DTXSID40924791

화학 및 물리적 성질

XLogP	4.7
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	19
형식 전하	0
복잡도	344
Kovats Retention Index	2480
녹는점	840C
끓는 점	403.0±45.0 °C(Predicted)
밀도	1.318±0.06 g/cm3(Predicted)
저장 조건	Refrigerator
용해도	벤젠(약간 용해됨), 클로로포름(약간 용해됨), 디클로로메탄, 메탄올(약간 용해됨)
물리적 상태	고체
색상	진한 노란색

화학적 성질

Brown Solid

안전 및 규제

GHS 분류	H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.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: 31-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30635
Hazard Classes and Categories	Aquatic Chronic 4 (100%)Hazardous to the aquatic environment (chronic) - category 4Aquatic Chronic 4
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H413