找化学品上960化工网!
960化工网

1-(2',5'-二氯-4'-磺酸苯基)-3-甲基-5-吡唑啉酮 | 84-57-1

1-(2',5'-二氯-4'-磺酸苯基)-3-甲基-5-吡唑啉酮
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone Monohydrate
84-57-1
C10H8Cl2N2O4S
323.152519226074
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-(2',5'-二氯-4'-磺酸苯基)-3-甲基-5-吡唑啉酮结构式
87572675
名称和标识符
MDL MFCD00035706
InChIKey KCEIVWKDBLAQKL-UHFFFAOYSA-N
Inchi 1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)
SMILES O=C1CC(C)=NN1C1C(Cl)=CC(S(O)(=O)=O)=C(Cl)C=1
别名信息
- 中文别名 -
  • 1-(2',5'-二氯-4'-磺酸苯基)-3-甲基-5-吡唑啉酮
  • 1-(2,5-二氯-4-磺酸苯基)-3-甲基-5-吡唑酮
  • 1-(2',5'-二氯-4'-磺酸)苯基-3-甲基-5-吡唑酮
  • 1-(2,5-二氯-4-磺酸苯基)-3-甲基-5-吡唑啉酮一水合物
  • 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone Monohydrate 1-(2,5-二氯-4-磺酸苯基)-3-甲基-5-吡唑啉酮一水合物
  • 1-(2'',5''-二氯-4''-磺酸苯基)-3...
  • 1-(2,5-二氯-4-磺酸苯基)-3-甲基-吡唑啉酮(2.5-二氯吡唑啉酮)
  • 1-(2,5-二氯-4-磺酸基)苯基-3-甲基-5-吡唑酮
  • 1-(2,5-二氯-4-磺酸基苯基)-3-甲基-5-吡唑啉酮(254CSMP)
  • 1-(2',5'-二氯-4'磺酸苯基)-3-甲基-5-吡唑酮
  • 1-(2,5-二氯-4-磺酸基苯基)-3-甲基-5-吡唑啉酮
  • 1-(2’,5’-二氯-4’-磺酸苯基)-3-甲基-5-吡唑啉酮
- 英文别名 -
  • 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
  • 4-Acetylbutyric acid ethyl ester
  • Ethyl 5-oxohexanoate
  • 1-(2',5'-Dichloro-4'-sulfophenyl)-3-methyl-5-pyrazolone
  • 2,5-Dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
  • 1-(2',5'-Dichloro-4'-Sulfo)phenyl-3-Methyl-5-Pyrazolone
  • 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone Monohydrate
  • 1-(2,5-DICHLORO-4-SULFOPHENYL)-3-METHYL-5-PYRAZOLON
  • Dichlorosulfophenyl-3-methylpyrazolone
  • 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone
  • Dichlorsulfofenyl-methylpyrazolon
  • Dichlorsulfofenyl-methylpyrazolon [Czech]
  • 3-Methyl-1-2,5-dichloro-4-sulphophenylpyrazole-5-one
  • MLS002667397
  • Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • 2,5-Dichloro-4-(3-methyl-5-oxo-2-pyra
  • HMS3079M12
  • SMR001557163
  • 3-METHYL-1,2,5-DICHLORO-4-SULPHOPHENYLPYRAZOLE-5-ONE
  • MFCD00035706
  • 3-Methyl-1,5-dichloro-4-sulfophenylpyrazole-5-one
  • 2,5-DICHLORO-4-(3-METHYL-5-OXO-4H-PYRAZOL-1-YL)BENZENESULPHONIC ACID
  • Benzenesulfonic acid,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • Cambridge id 5255949
  • DTXSID8058906
  • 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULPHONIC ACID
  • M0663
  • 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5(4H)-pyrazolone
  • NSC50666
  • Benzenesulfonic acid,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • 1-(2,5-Dichloro-4-sulfophenyl)-3-Methyl-5-pyrazolone Monohydrate
  • CBDivE_010430
  • WLN: T5NNV DHJ BR BG EG DSWQ& E1
  • 3JM6K2RKX8
  • dichlorosulfophenyl-3-methylpyrazolone
  • Kyselina 2,5-dichlor-4-(3'-methyl-5'-pyrazolon-1'-yl)benzensulfonova [Czech]
  • CS-0199476
  • 2,5-dichlor-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzensulfonsyre
  • UNII-3JM6K2RKX8
  • 2,5-Dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
  • FT-0605489
  • J-002151
  • AB00076870-01
  • BENZENESULPHONIC ACID, 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-
  • Benzenesulfonic acid, 2,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID
  • 3-Methyl-1,2,5-dichloro-4-sulfophenylpyrazole-5-one
  • NSC-50666
  • 1-(2'.5'-dichloro-4'-sulfophenyl)-3-methyl-5-pyrazolone
  • W-104112
  • NSC 50666
  • C10H8Cl2N2O4S
  • LS-31854
  • EINECS 201-541-7
  • C10-H8-Cl2-N2-O4-S
  • AS-73647
  • AKOS000668673
  • CHEMBL1705260
  • 84-57-1
  • 2,5-dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
  • SCHEMBL9770538
  • Kyselina 2,5-dichlor-4-(3'-methyl-5'-pyrazolon-1'-yl)benzensulfonova
  • 1-(2 5-DICHLORO-4-SULFOPHENYL)-3-METHYL&
  • A840852
  • 2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
  • 2,5-Dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid (ACI)
  • Benzenesulfonic acid, 2,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI, 8CI)
  • 1-(2′,5′-Dichloro)phenyl-3-methyl-5-pyrazolone-4′-sulfonic acid
  • 1-(2′,5′-Dichloro-4′-sulfophenyl)-3-methyl-5-pyrazolone
  • 2,5-Dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
  • 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
  • p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-2,5-dichlorbenzenesulfonic acid
物化性质
实验特性
LogP 2.93410
PSA 95.42000
折射率 1.6000 (estimate)
沸点 221℃
熔点 346 °C (dec.)(lit.)
颜色与性状 白色或黄色结晶粉末
溶解性 易溶于水和乙醇,溶于碱,微溶于乙醚
密度 1.5186 (rough estimate)
计算特性
精确分子量 321.95800
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 2
同位素质量 321.958
重原子数量 19
复杂度 516
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.3
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 95.4
国际标准相关数据
EINECS 50666
生产方法和用途
用途 用于合成C.I.酸性黄17、C.I.酸性橙40、C.I.活性黄1等活性染料
相关文献
专业数据库参考
PubChemId 87572675
参考资料
Reaxys RN 8992606
Beilstein D155608
1-(2',5'-二氯-4'-磺酸苯基)-3-甲基-5-吡唑啉酮推荐生产厂家
960化工网为您提供1-(2',5'-二氯-4'-磺酸苯基)-3-甲基-5-吡唑啉酮专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:84-57-1,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等
平台客服 平台客服

平台在线客服