5-溴-1,3-二甲基尿苷结构式
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常用名 | 5-溴-1,3-二甲基尿苷 | 英文名 | 5-Bromo-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
|---|---|---|---|---|
| CAS号 | 7033-39-8 | 分子量 | 219.036 | |
| 密度 | 1.7±0.1 g/cm3 | 沸点 | 242.1±50.0 °C at 760 mmHg | |
| 分子式 | C6H7BrN2O2 | 熔点 | 182-185ºC(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 100.2±30.1 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 5-溴-1,3-二甲基尿嘧啶 |
|---|---|
| 英文名 | 5-Bromo-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| 中文别名 | 5-溴-1,3-二甲基尿苷 | 5-溴-1,3-尿嘧啶 |
| 英文别名 | 更多 |
| 密度 | 1.7±0.1 g/cm3 |
|---|---|
| 沸点 | 242.1±50.0 °C at 760 mmHg |
| 熔点 | 182-185ºC(lit.) |
| 分子式 | C6H7BrN2O2 |
| 分子量 | 219.036 |
| 闪点 | 100.2±30.1 °C |
| 精确质量 | 217.969086 |
| PSA | 44.00000 |
| LogP | 0.75 |
| 蒸汽压 | 0.0±0.5 mmHg at 25°C |
| 折射率 | 1.585 |
| 储存条件 | 2-8°C |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.3 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积40.6 7.重原子数量:11 8.表面电荷:0 9.复杂度:249 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 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 26-36 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| 海关编码 | 2933599090 |
|
~96%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Moltke-Leth, Claus; Joergensen, Karl Anker Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1993 , # 8 p. 1487 - 1490 |
|
~81%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Pecorari; Vampa; Albasini; Rinaldi; Melegari; Costi Farmaco, Edizione Scientifica, 1988 , vol. 43, # 4 p. 311 - 318 |
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~81%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Kinoshita; Ohishi; Tanimoto Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 12 p. 2073 - 2076 |
|
~82%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Kinoshita; Ohishi; Tanimoto Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 12 p. 2073 - 2076 |
|
~83%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Skulski, Lech; Kujawa, Anna; Kujawa, Tadeusz M. Bulletin of the Polish Academy of Sciences, Chemistry, 1987 , vol. 35, # 11-12 p. 499 - 505 |
|
~80%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Skulski, Lech; Kujawa, Anna; Kujawa, Tadeusz M. Bulletin of the Polish Academy of Sciences, Chemistry, 1987 , vol. 35, # 11-12 p. 499 - 505 |
|
~16%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Bulletin of the Chemical Society of Japan, , vol. 62, # 11 p. 3750 - 3751 |
|
~%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Journal of Organic Chemistry, , vol. 24, p. 11 |
|
~%
5-溴-1,3-二甲基尿苷 7033-39-8 |
| 文献：Journal of Organic Chemistry, , vol. 24, p. 11 Canadian Journal of Chemistry, , vol. 37, p. 590,591 |
| 海关编码 | 2933599090 |
|---|---|
| 中文概述 | 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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 | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Excited state structures and decay dynamics of 1,3-dimethyluracils in solutions: resonance Raman and quantum mechanical calculation study.
J. Phys. Chem. B 117(39) , 11660-9, (2013) The resonance Raman spectroscopic study of the excited state structural dynamics of 1,3-dimethyluracil (DMU), 5-bromo-1,3-dimethyluracil (5BrDMU), uracil, and thymine in water and acetonitrile were re... |
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Photochemical coupling of 5-bromo-1,3-dimethyluracil and its 6-alkyl derivatives to 3-methylindole and N alpha-acetyl-L-tryptophan methyl ester.
J. Photochem. Photobiol. B, Biol. 3(4) , 565-74, (1989) Photochemical reactions between 5-bromo-1,3-dimethyluracils and 3-substituted indoles in acetone solution were studied. Irradiation (lambda greater than 290 nm) of 5-bromo-1,3-dimethyluracil (1) and N... |
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Photoinduced cross-coupling reaction of 5-bromo-1, 3-dimethyluracil to electron-rich aromatics. Ito S, et al.
Tetrahedron 37(1) , 45-50, (1981)
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| 5-bromo-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| MFCD00191846 |
| T6NVNVJ A1 C1 EE |
| 5-bromo-1,3-dimethylpyrimidine-2,4-dione |
| 1,3-Dimethyl-5-bromouracil |
| 5-bromo-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| 5-Bromo-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione |
| Uracil, 5-bromo-1,3-dimethyl- |
| 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1,3-dimethyl- |
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