기본 정보
- CAS
83012-13-9- 표준 SMILES
FC(F)(F)c1cc(Cl)c2cccc(C(F)(F)F)c2n1- InChIKey
ZSQOESPYYNJBCZ-UHFFFAOYSA-N- 분자식
- C11H4ClF6N
- 평균 분자량
- 299.6 g/mol
- 단동위원소 질량
- 298.9936458
이름 및 식별자
- 우선 이름
- 4-Chloro-2,8-bis(trifluoromethyl)quinoline
- IUPAC
- 4-chloro-2,8-bis(trifluoromethyl)quinoline
- 영어명
- 2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE
- 분자식
- C11H4ClF6N
- 분자량
- 299.6
이름 및 동의어
83012-13-94-Chloro-2,8-bis(trifluoromethyl)quinolineEINECS 280-132-5DTXSID20232129RefChem:98329DTXCID70154620280-132-52,8-Bis(trifluoromethyl)-4-chloroquinoline4-Chloro-2,8-bis-trifluoromethylquinolineMFCD00075104Quinoline, 4-chloro-2,8-bis(trifluoromethyl)-SCHEMBL1258312
이름 더 보기
BUTTPARK 147\04-114-CHLORO-2,8-DI(TRIFLUOROMETHYL)QUINOLINE4-Chloro-2,8-bis(trifluoromethyl)quinolone2,8-Bis(trifluoromethyl)-4-chloroquinoline97%4-Chloro-2,8-bis(trifluoromethyl)quinoline,97%4-CHLORO-2 8-BIS(TRIFLUOROMETHYL)QUINOLINE 97%2,8-Bis(trifluoromethyl)-4-chloroquinoline 97%
6-Chloro-2,8-bis(trifluoromethyl)quinolineAMY143484-Chloro-2,8-bis-trifluoromethyl-quinolineFT-06107604-Chloro-2,8-bis-trifluoromethylCS-D0693AKOS005259145AB02852
데이터베이스 식별자
- CAS
83012-13-9- PubChem CID
- 2733247
- DTXSID
DTXSID20232129- EC Number
- 280-132-5
- Nikkaji
- J278.733D
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 328
물리화학적 성질
- 녹는점
- 46 · 46-48 °C (lit.)
- 끓는 점
- 148 · 148-152 °C(Press: 18 Torr)
- 밀도
- 1.5242 · 1.5242 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- -3.49 · -3.49±0.50(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 베이지색
- InChI
- 1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
- InChIKey
- ZSQOESPYYNJBCZ-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F
화학적 성질
beige crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29334900
- 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
일반 설명4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives.
상·하류 제품 정보
상류 원료
공급사66 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
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