기본 정보
- CAS
68496-04-8- 표준 SMILES
OC(c1ccccn1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12- InChIKey
LUDFDSXDVJABBT-UHFFFAOYSA-N- 분자식
- C17H10F6N2O
- 평균 분자량
- 372.26 g/mol
- 단동위원소 질량
- 372.06973192
개요
structure given in first source; internal standard for mefloquine
이름 및 식별자
- 우선 이름
- alpha-2-Pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
- IUPAC
- [2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
- 현지명
- 알파-2-피리디닐-2,8-비스(트리플루오로메틸)-4-퀴놀린메탄올
- 영어명
- alpha-2-pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
- 분자식
- C17H10F6N2O
- 분자량
- 372.26
이름 및 동의어
68496-04-8MQ-ISalpha-2-Pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol4-Quinolinemethanol, alpha-2-pyridinyl-2,8-bis(trifluoromethyl)-RefChem:111061(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanolDehydro Mefloquine[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanolMFCD05863552LR2SRP2P6J(2,8-Bis(trifluoromethyl)quinolin-4-yl)(pyridin-2-yl)methanol[2,8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-YL](PYRIDIN-2-YL)METHANOL
이름 더 보기
알파-2-피리디닐-2,8-비스(트리플루오로메틸)-4-퀴놀린메탄올Mefloquine Impurity 1Mefloquine Impurity BMefloquineb Impurity 6 (Dehydro Mefloquine)Mefloquine EP Impurity B (Dehydro Mefloquine)4-Quinolinemethanol, α-2-pyridinyl-2,8-bis(trifluoromethyl)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanol AldrichCPR
DehydroMefloquine-d52,8-Bis[trifluoromethyl]-a-(2-pyridyl)-4-quinolinemethanolUNII-LR2SRP2P6JMefloquine EP Impurity BSCHEMBL8941191DTXSID10988148AB22515HT 0160010
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 46 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 483
물리화학적 성질
- 물리적 상태
- solid
- InChI
- 1S/C17H10F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h1-8,15,26H
- InChIKey
- LUDFDSXDVJABBT-UHFFFAOYSA-N
- SMILES
- OC(c1ccccn1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 2933499090
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Dehydro Mefloquine is an intermediate in the synthesis of Mefloquine (M207050).
공급사14 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Aladdin Scientific[email protected]
安徽合诺生物科技有限公司18455579438
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
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