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

이름 및 식별자

우선 이름: 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
IUPAC: 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
현지명: 4-(3,4-디클로로페닐)-1-테트라론
영어명: 4-(3,4-Dichlorophenyl)-1-tetralone
분자식: C16H12Cl2O
분자량: 291.17

이름 및 동의어

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

이름 더 보기

4-(3,4-디클로로페닐)-1-테트라론DASO-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

데이터베이스 식별자

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

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

물리화학적 성질

녹는점: 97 · 97-99°C
끓는 점: 403 · 403.0±45.0 °C(Predicted)
밀도: 1.318 · 1.318±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
물리적 상태: 고체
색상: 흰색에서 황백색까지
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

화학적 성질

Off-White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 1건

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 · 2건

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%)

규제 정보

Regulatory Information · 1건

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