alpha-2-Pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
基本情報
- CAS
68496-04-8- 標準SMILES
OC(c1ccccn1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12- InChIKey
LUDFDSXDVJABBT-UHFFFAOYSA-N- 分子式
- C17H10F6N2O
- 平均分子量
- 372.26 g/mol
- 単同位体質量
- 372.06973192
概要
structure given in first source; internal standard for mefloquine
名称と識別子
- 優先名称
- alpha-2-Pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
- IUPAC
- [2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
- 英語名
- alpha-2-pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
- 分子式
- C17H10F6N2O
- 分子量
- 372.26
名称と別名
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
名称をさらに表示
Mefloquine 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
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 46 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 2
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 483
物理化学的性質
- 外見
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全データ
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933499090
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
応用分野
使用Dehydro Mefloquine is an intermediate in the synthesis of Mefloquine (M207050).
関連反応
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化合物ノート
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