Sertraline ketone

HCID 1474501

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 124379-29-9
표준 SMILES: O=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey: JGMBHJNMQVKDMW-NSHDSACASA-N
분자식: C16H12Cl2O
평균 분자량: 291.2 g/mol
단동위원소 질량: 290.0265204

이름 및 식별자

우선 이름: Sertraline ketone
IUPAC: (4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
영어명: 4-(3,4-Dichloro-phenyl)-3,4-dihydro-2H-naphthalen-1-one
분자식: C16H12Cl2O
분자량: 291.17

이름 및 동의어

124379-29-9Sertraline ketoneSertraline, ketone(S)-4-(3,4-Dichlorophenyl)-1-tetralone3383LZ11NQ1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-, (4S)-(S)-4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1-NAPHTHALENONEEC 444-830-5(S)-4-(3,4-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-oneRefChem:884945444-830-5602-993-1

이름 더 보기

DASO-005Sertraline EP Impurity F Enantiomer(S)-4-(3,4-Dichlorophenyl)-1-tetralon(4S)-4-(3,4-dichlorophenyl)-1-tetralone4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONESertraline Impurity 9（Sertraline Tetralone (S)-Isomer）

(S)-4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one(4S)-(3',4'-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-oneSertraline Tetralone (S)-Isomer(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-oneSertraline EP Impurity F(4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-oneSER ketone

데이터베이스 식별자

CAS: 124379-29-9
PubChem CID: 1474501
DTXSID: DTXSID40924791
UNII: 3383LZ11NQ
EC Number: 444-830-5、602-993-1
Nikkaji: J895.403H

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 344

실험 및 물리화학적 성질

Kovats Retention Index2480

물리화학적 성질

녹는점: 840 C · 840C
끓는 점: 403 · 403.0±45.0 °C(Predicted)
밀도: 1.318 · 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

GHS Classification · 6건

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]

P273, and P501 (click each P-code to see the statement)

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.

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

유해성 정보

Regulatory InformationStatus: Active Update: 31-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30635

Hazard Classes and Categories · 3건

Aquatic Chronic 4 (100%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

규제 정보

Regulatory InformationStatus: Active Update: 31-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30635

안전 데이터

유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H413

화학 및 산업

공급사50 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

화합물 노트

불러오는 중…