2,4-二氯-5-异丙氧基苯胺结构式
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常用名 | 2,4-二氯-5-异丙氧基苯胺 | 英文名 | 2,4-Dichloro-5-Isopropoxyaniline |
|---|---|---|---|---|
| CAS号 | 41200-96-8 | 分子量 | 220.09600 | |
| 密度 | 1.272g/cm3 | 沸点 | 110-112°C 0,2mm | |
| 分子式 | C9H11Cl2NO | 熔点 | 40-42°C | |
| MSDS | N/A | 闪点 | 110-112°C/0.2mm |
2,4-二氯-5-异丙氧基苯胺用途【用途一】 2,4-二氯-5-异丙氧基苯胺是除草剂恶草酮的中间体。 |
| 中文名 | 2,4-二氯-5-异丙氧基苯胺 |
|---|---|
| 英文名 | 2,4-Dichloro-5-Isopropoxyaniline |
| 中文别名 | 2,4-二氯-5-异丙基氧基苯胺 |
| 英文别名 | 更多 |
| 密度 | 1.272g/cm3 |
|---|---|
| 沸点 | 110-112°C 0,2mm |
| 熔点 | 40-42°C |
| 分子式 | C9H11Cl2NO |
| 分子量 | 220.09600 |
| 闪点 | 110-112°C/0.2mm |
| 精确质量 | 219.02200 |
| PSA | 35.25000 |
| LogP | 3.94400 |
| InChIKey | RWRWIICNMOKBIQ-UHFFFAOYSA-N |
| SMILES | CC(C)Oc1cc(N)c(Cl)cc1Cl |
| 折射率 | 1.562 |
| 储存条件 | 密封、阴凉、干燥保存 |
| 稳定性 | 常规情况下不会分解,没有危险反应 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):3.3 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:无 6.拓扑分子极性表面积35.2 7.重原子数量:13 8.表面电荷:0 9.复杂度:166 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 |
| 更多 | 1. 性状:固体 2. 密度(g/mL,20ºC):未确定 3. 相对蒸汽密度(g/mL,空气=1): 未确定 4. 熔点(ºC):40-42 5. 沸点(ºC):未确定 6. 沸点(ºC,0.2mm hg):110-112 7. 折射率:未确定 8. 闪点(ºC):110-112°C/0.2mm 9. 比旋光度(ºC):未确定 10. 自燃点或引燃温度(ºC): 未确定 11. 蒸气压(kPa,25ºC):未确定 12. 饱和蒸气压(kPa,60ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:不能溶解的 |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R20/21/22 |
| 安全声明 (欧洲) | S28-S36/37 |
| 危险品运输编码 | 2811 |
| 包装等级 | III |
| 危险类别 | 6.1 |
| 海关编码 | 2922299090 |
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2,4-二氯-5-异丙氧基苯胺 41200-96-8 |
| 文献:Ando, Iwao; Ohtsuka, Toshikazu; Miki, Nobuo; Takahashi, Toshio; Hayase, Yoshio; Hayashi, Yoshiyuki Agricultural and Biological Chemistry, 1989 , vol. 53, # 7 p. 2001 - 2004 |
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2,4-二氯-5-异丙氧基苯胺 41200-96-8 |
| 文献:Ando, Iwao; Ohtsuka, Toshikazu; Miki, Nobuo; Takahashi, Toshio; Hayase, Yoshio; Hayashi, Yoshiyuki Agricultural and Biological Chemistry, 1989 , vol. 53, # 7 p. 2001 - 2004 |
| 2,4-二氯-5-异丙氧基苯胺上游产品 2 | |
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| 2,4-二氯-5-异丙氧基苯胺下游产品 1 | |
其制备方法是在反应釜中加入2,4-二氯-5-异丙氧基硝基苯、加氢催化剂、助剂和甲醇,用氢气置换釜内空气3次,把釜内氢气压维持在2.0 MPa,开动搅拌,在适宜温度下保持氢气压2.0 MPa,在数小时加氢气后至反应不再吸收氢气,取样检测,反应结束,停止搅拌,静置一段时间,卸压,物料压出后进行过滤,除去催化剂,再在减压下脱溶得到产品。
| 海关编码 | 2922299090 |
|---|---|
| 中文概述 | 2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 |
| Summary | 2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Specificity screen against TRPC6 for compounds that activate transient receptor poten...
来源:Johns Hopkins Ion Channel Center
靶标:short transient receptor potential channel 6 [Mus musculus]
External Id:TRPC4_AG_Counter_C6
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Specificity screen against TRPC6 for compounds that inhibit transient receptor potent...
来源:Johns Hopkins Ion Channel Center
靶标:short transient receptor potential channel 6 [Mus musculus]
External Id:TRPC4_Inh_Counter_C6
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Specificity screen against TRPC6 for compounds that allosterically potentiate transie...
来源:Johns Hopkins Ion Channel Center
靶标:short transient receptor potential channel 6 [Mus musculus]
External Id:TRPC4_Alo_Counter_C6
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| 2,4-dichloro-5-propan-2-yloxyaniline |
| EINECS 255-258-9 |
| 2,4-DICHLORO-5-ISOPROPOXYANILINE |
| MFCD00974411 |