8-氯-8-氧代辛酸甲酯结构式
|
常用名 | 8-氯-8-氧代辛酸甲酯 | 英文名 | Methyl 8-chloro-8-oxooctanoate |
|---|---|---|---|---|
| CAS号 | 41624-92-4 | 分子量 | 206.66700 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C9H15ClO3 | 熔点 | N/A | |
| MSDS | 中文版 美版 | 闪点 | 113 °C | |
| 符号 |
GHS05 |
信号词 | Danger |
| 中文名 | 甲基8-氯-8-氧代辛酸 |
|---|---|
| 英文名 | Methyl 8-chloro-8-oxooctanoate |
| 中文别名 | 8-氯-8-氧代辛酸甲酯 | 8氯-8-羰基辛酸甲酯 |
| 英文别名 | 更多 |
| 分子式 | C9H15ClO3 |
|---|---|
| 分子量 | 206.66700 |
| 精确质量 | 206.07100 |
| PSA | 43.37000 |
| LogP | 2.26540 |
| 储存条件 | 室温 |
| 分子结构 | 1、 摩尔折射率：50.39 2、 摩尔体积（cm3/mol）：189.0 3、 等张比容（90.2K）：458.4 4、 表面张力（dyne/cm）：34.5 5、 极化率：19.97 6、 介电常数：未确定 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:3 4.可旋转化学键数量:8 5.互变异构体数量:无 6.拓扑分子极性表面积43.4 7.重原子数量:13 8.表面电荷:0 9.复杂度:168 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 |
| 符号 |
GHS05 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H314 |
| 警示性声明 | P280-P305 + P351 + P338-P310 |
| 个人防护装备 | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 风险声明 (欧洲) | 34 |
| 安全声明 (欧洲) | 23-26-27-36/37/39-45 |
| 危险品运输编码 | UN 3265 8/PG 2 |
| 海关编码 | 2918300090 |
| 闪点（华氏） | 235.4 °F |
| 闪点（摄氏） | 113 °C |
|
~88%
8-氯-8-氧代辛酸甲酯 41624-92-4 |
| 文献：Iizuka; Akahane; Momose; Nakazawa; Tanouchi; Kawamura; Ohyama; Kajiwara; Iguchi; Okada; Taniguchi; Miyamoto; Hayashi Journal of Medicinal Chemistry, 1981 , vol. 24, # 10 p. 1139 - 1148 |
|
~96%
8-氯-8-氧代辛酸甲酯 41624-92-4 |
| 文献：Tueting, David R.; Echavarren, Antonio M.; Stille, J. K. Tetrahedron, 1989 , vol. 45, # 4 p. 979 - 992 |
|
~%
8-氯-8-氧代辛酸甲酯 41624-92-4 |
| 文献：Dobner; Elsner; Nuhn Pharmazie, 1989 , vol. 44, # 11 p. 758 - 760 |
|
~%
8-氯-8-氧代辛酸甲酯 41624-92-4 |
| 文献：Kern, Werner; Spiteller, Gerhard Liebigs Annalen der Chemie, 1985 , # 5 p. 1168 - 1174 |
| 8-氯-8-氧代辛酸甲酯上游产品 4 | |
|---|---|
| 8-氯-8-氧代辛酸甲酯下游产品 8 | |
| 海关编码 | 2918300090 |
|---|---|
| 中文概述 | 2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synthesis and Biological Evaluation of JAHAs: Ferrocene-Based Histone Deacetylase Inhibitors.
ACS Med. Chem. Lett. 2(5) , 358-362, (2011) N(1)-Hydroxy-N(8)-ferrocenyloctanediamide, JAHA (7), an organometallic analogue of SAHA containing a ferrocenyl group as a phenyl bioisostere, displays nanomolar inhibition of class I HDACs, excellent... |
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8-cyclopentadienyltricarbonyl 99mtc 8-oxooctanoic acid: a novel radiotracer for evaluation of medium chain fatty acid metabolism in the liver.
Bioconjug. Chem. 15(1) , 121-7, (2004) 8-Cyclopentadienyltricarbonyl 99mTc 8-oxooctanoic acid (99mTc-CpTTOA; 1a) was synthesized for evaluation of medium chain fatty acid metabolism in the liver. 99mTc-CpTTOA was prepared in high radiochem... |
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High-performance liquid chromatographic assay with fluorescence detection for the evaluation of inhibitors against fatty acid amide hydrolase.
Anal. Bioanal. Chem 394(6) , 1679-1685, (2009) A fluorescent assay for the evaluation of inhibitors of fatty acid amide hydrolase (FAAH) is described. Microsomes from rat brain served as enzyme source. N-(2-Hydroxyethyl)-4-pyren-1-ylbutanamide was... |
| methyl 8-chloro-8-oxo-octanoate |
| MFCD00134649 |
| metyl 8-chloro-8-oxooctanoate |
| Methyl suberyl chloride |
| 7-chlorocarbonylheptanoic acid methyl ester |
| 7-carbomethoxyheptanoyl chloride |
| suberyl chloride methyl ester |
| methyl 7-(chloroformyl)-heptanoate |
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