1011-50-3

• 常用中文名：2-(2-羟基甲基)喹啉
• 常用英文名：2-(2-Quinolinyl)ethanol
• CAS号：1011-50-3
• 分子式：C₁₁H₁₁NO
• 分子量：173.211
• 发布时间：2018-07-22 12:29:40
• 更新时间：2024-01-11 14:03:17

名称

• 中文名: 2-(2-羟基甲基)喹啉
• 英文名: 2-(2-hydroxyethyl)quinoline
• 中文别名: 2 - (1 - (4 -氟苯基)-1H -5-吡唑基)吡啶; 2-(2-羟基乙基)喹啉; 2-(1-(4-氟苯基)-1H-5-吡唑基)吡啶
• 英文别名: quinoline-2-ethanol; 2-(2-Quinolinyl)ethanol; 2-quinolin-2-ylethanol; EINECS 213-784-6; 2-(quinolin-2-yl)ethanol; 2-Quinolineethanol; 2-(2-Hydroxyethyl)quinoline

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 316.1±17.0 °C at 760 mmHg
• 分子式: C₁₁H₁₁NO
• 分子量: 173.211
• 闪点: 144.9±20.9 °C
• 精确质量: 173.084061
• PSA: 33.12000
• LogP: 1.23
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.644
• 储存条件: 室温，密封，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积:33.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:160

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VB8050000 CHEMICAL NAME : 2-Quinolineethanol CAS REGISTRY NUMBER : 1011-50-3 BEILSTEIN REFERENCE NO. : 0120170 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C11-H11-N-O MOLECULAR WEIGHT : 173.23 WISWESSER LINE NOTATION : T66 BNJ C2Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor REFERENCE : CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,288,1953

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933499090

合成路线

5100-57-2 ~52% 1011-50-3

文献：PFIZER PRODUCTS INC. Patent: WO2008/20302 A2, 2008 ; Location in patent: Page/Page column 26 ; WO 2008/020302 A2

52249-48-6 ~54% 1011-50-3

文献：Helal, Christopher J.; Kang, Zhijun; Hou, Xinjun; Pandit, Jayvardhan; Chappie, Thomas A.; Humphrey, John M.; Marr, Eric S.; Fennell, Kimberly F.; Chenard, Lois K.; Fox, Carol; Schmidt, Christopher J.; Williams, Robert D.; Chapin, Douglas S.; Siuciak, Judith; Lebel, Lorraine; Menniti, Frank; Cianfrogna, Julia; Fonseca, Kari R.; Nelson, Frederick R.; O Connor, Rebecca; MacDougall, Mary; McDowell, Laura; Liras, Spiros Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4536 - 4547

91-63-4 50-00-0 ~70% 1011-50-3

文献：Melzig, Laurin; Dennenwaldt, Teresa; Gavryushin, Andrey; Knochel, Paul Journal of Organic Chemistry, 2011 , vol. 76, # 21 p. 8891 - 8906

91-63-4 ~% 1011-50-3

文献：Chemische Berichte, , vol. 32, p. 223 Chemische Berichte, , vol. 34, p. 4322

上下游产品

上游产品  4
5100-57-2 52249-48-6 91-63-4 50-00-0
下游产品  7
104037-38-9 91-63-4 50-00-0 772-03-2
74274-01-4 47304-84-7 57114-75-7

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%