5-溴-2,4-二甲氧基苯甲醛结构式
|
常用名 | 5-溴-2,4-二甲氧基苯甲醛 | 英文名 | 5-bromo-2,4-dimethoxybenzaldehyde |
|---|---|---|---|---|
| CAS号 | 130333-46-9 | 分子量 | 245.07000 | |
| 密度 | 1.482g/cm3 | 沸点 | 344.3ºC at 760mmHg | |
| 分子式 | C9H9BrO3 | 熔点 | 140-141ºC(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 162ºC | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 5-溴-2,4-二甲氧基苯甲醛 |
|---|---|
| 英文名 | 5-bromo-2,4-dimethoxybenzaldehyde |
| 英文别名 | 更多 |
| 密度 | 1.482g/cm3 |
|---|---|
| 沸点 | 344.3ºC at 760mmHg |
| 熔点 | 140-141ºC(lit.) |
| 分子式 | C9H9BrO3 |
| 分子量 | 245.07000 |
| 闪点 | 162ºC |
| 精确质量 | 243.97400 |
| PSA | 35.53000 |
| LogP | 2.27880 |
| InChIKey | PXDIELLGFUEAIX-UHFFFAOYSA-N |
| SMILES | COc1cc(OC)c(C=O)cc1Br |
| 蒸汽压 | 6.64E-05mmHg at 25°C |
| 折射率 | 1.567 |
| 储存条件 | 室温,密闭,干燥 |
| 分子结构 | 五、分子性质数据: 1、 摩尔折射率:54.05 2、 摩尔体积(cm3/mol):165.2 3、 等张比容(90.2K):416.1 4、 表面张力(dyne/cm):40.1 5、 极化率(10-24cm3):21.42 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):2 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:3 5.互变异构体数量:无 6.拓扑分子极性表面积35.5 7.重原子数量:13 8.表面电荷:0 9.复杂度:174 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: Irritant; |
| 风险声明 (欧洲) | 36/37/38 |
| 安全声明 (欧洲) | 26-36 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2913000090 |
|
~97%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Bezodis, Paul; Hanson, James R.; Petit, Philippe Journal of Chemical Research - Part S, 1996 , # 7 p. 334 - 335 |
|
~%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Journal of the American Chemical Society, , vol. 52, p. 341,345 |
|
~%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Tetrahedron Letters, , vol. 43, # 51 p. 9303 - 9305 |
|
~%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Journal of the Chemical Society, , p. 1580 |
|
~%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Journal of the Chemical Society, , p. 1580 |
|
~%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Journal of the Chemical Society, , p. 1580 |
|
~%
5-溴-2,4-二甲氧基苯甲醛 130333-46-9 |
| 文献:Chemische Berichte, , vol. 68, p. 445,450 |
|
~%
详细
|
| 文献:Journal of the Chemical Society, , p. 1580 |
|
~%
详细
|
| 文献:J.Mysore Univ., , vol. 5, p. 232 |
| 5-溴-2,4-二甲氧基苯甲醛上游产品 10 | |
|---|---|
| 5-溴-2,4-二甲氧基苯甲醛下游产品 7 | |
| 海关编码 | 2913000090 |
|---|---|
| 中文概述 | 2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
|
Discovery of novel heteroaryl-substituted chalcones as inhibitors of TNF-alpha-induced VCAM-1 expression.
Bioorg. Med. Chem. Lett. 14(6) , 1513-7, (2004) Novel chalcone derivatives have been discovered as potent inhibitors of TNF-alpha-induced VCAM-1 expression. Thienyl or benzothienyl substitution at the meta-position of ring B helps boost potency whi... |
|
|
An Efficient Synthesis of 5, 7-Dihydroxy-4-methylisobenzofuran-1 (3H)-one, a Metabolite of Aspergillus Flavus and a Key Intermediate in the Synthesis of Mycophenolic Acid. Kobayashi K, et al.
Bull. Chem. Soc. Jpn. 63(8) , 2435-37, (1990)
|
|
实验名称:qHTS screening for TAG (triacylglycerol) accumulators in algae
来源:11812
靶标:N/A
External Id:FATTTLab-Algae-Lipid
|
|
实验名称:Cell survival assay for modulators of telomere damage signalling
来源:15378
靶标:N/A
External Id:TELO_02
|
|
实验名称:Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
来源:24983
靶标:Huntingtin
External Id:KUHTS-Muma KU-CaM-Htt INH-01
|
|
实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
|
|
实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
|
|
实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
|
| MFCD00010863 |
| 5-bromo-2,4-dimethoxy-benzaldehyde |
| 3-bromo-4,6-dimethoxybenzaldehyde |
| 5-Brom-2,4-dimethoxy-benzaldehyd |