7-(Trifluoromethyl)quinoline-4-thiol

HCID 688041CAS 64415-07-2

기본 정보

표준 SMILES: FC(F)(F)c1ccc2c(=S)cc[nH]c2c1
InChIKey: DBWDEWRMEKXOFI-UHFFFAOYSA-N
분자식: C10H6F3NS
평균 분자량: 229.22 g/mol
단동위원소 질량: 229.01730485

이름 및 식별자

우선 이름: 7-(Trifluoromethyl)quinoline-4-thiol
IUPAC: 7-(trifluoromethyl)-1H-quinoline-4-thione
영어명: 7-Trifluoromethyl-4-quinolinethiol
분자식: C10H6F3NS
분자량: 229.22

이름 및 동의어

7-(Trifluoromethyl)quinoline-4-thiolEINECS 264-875-27-(trifluoromethyl)-4-quinolinethiolRefChem:545304264-875-264415-07-27-Trifluoromethyl-4-quinolinethiol7-(trifluoromethyl)-1H-quinoline-4-thione181950-70-9MFCD000067804-Quinolinethiol, 7-(trifluoromethyl)-7-(Trifluoromethyl)quinoline-4(1H)-thione

이름 더 보기

7-(Trifluoromethyl)quinoline-4-thiol 95%7-Trifluoromethyl-4-quinolinethiol,tech.7-(Trifluoromethyl)quinoline-4-thiol, tech.7-TRIFLUOROMETHYL-4-QUINOLINETHIOL ISO 9001：2015 REACH

DTXSID909829877-Trifluoromethyl-4quinoline-thiol7-Trifluoromethyl-4-quinoline-thiol7-(Trifluoromethyl)quinoline-4-thiol, 95%AI-204/31700009SCHEMBL2201230SCHEMBL6834693SCHEMBL10750364

데이터베이스 식별자

CAS: 64415-07-2
PubChem CID: 688041
DTXSID: DTXSID90982987
EC Number: 264-875-2
Nikkaji: J236.385B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 298

물리화학적 성질

녹는점: 222 · 222-225 °C (lit.)
끓는 점: 307.8 · 307.8±37.0 °C(Predicted)
밀도: 1.407 · 1.407±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 0.39 · 0.39±0.30(Predicted)
물리적 상태: chunks
InChI: InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
InChIKey: DBWDEWRMEKXOFI-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(C(F)(F)F)C=2)C(S)=CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933499090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도7-(Trifluoromethyl)quinoline-4-thiol was used to investigate the mechanism of generation of lipid-poor particles from high-density lipoprotein induced by cholesteryl ester transfer protein.

상·하류 제품 정보

상류 원료

공급사25 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

杭州辅润医药科技有限公司15658004993 · [email protected]

연결된 노트

불러오는 중…