83833-37-8 (酸性红 405,Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, disodium)

CAS号:
83833-37-8
中文名称:
酸性红 405
英文名称:
Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, disodium

酸性红 405(83833-37-8)名称与标识符

名称

中文别名:
酸性红 405;酸性红 S-B;C.I.酸性红405;
英文别名:
Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, disodium;ACID RED 405;Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)];[2,4-Dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]chromate(2-) disodium;Bordeaux S-B;Chromate(2-),2,4-dihydro-4-(2-hydroxy-4-nitrophenyl)azo-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)4-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo-3-hydroxy-1-naphthalenesulfonato(3-)-,d;Einecs 281-013-0;Red 405;Chromate(2-), 2,4-dihydro-4-(2-hydroxy-4-nitrophenyl)azo-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)4-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo-3-hydroxy-1-naphthalenesulfonato(3-)-, disodium;C.I. Acid red 405;Bordeaux S-B;Acid red S-B;

标识符

InChIKey:
JLRNEICHQMUAFO-OSOZTEQHSA-K
Inchi:
1S/C20H15N4O5S.C16H12N5O4.Cr.Na/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;;/h2-11,25H,1H3,(H,27,28,29);2-9,22H,1H3;;/q2*-1;+3;+1/p-3/b22-21+;18-17+;;
SMILES:
CC1=NN(C2C=CC=CC=2)C2=O[Cr+3]345([O-]C6C=C(N(=O)=O)C=CC=6N=N3[C-]12)O=C1N(C2C=CC=CC=2)N=C(C)[C-]1N=N4C1C2C=CC=CC=2C(S([O-])(=O)=O)=CC=1[O-]5.[Na+]

酸性红 405(83833-37-8)物化性质

实验特性

  • LogP : 8.14200
  • PSA : 219.57000
  • 溶解性 : 32.44g/L at 20℃
  • 密度 : 1.415[at 20℃]

计算特性

  • 精确分子量 : 856.06200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 8
  • 重原子数量 : 58

酸性红 405(83833-37-8)国际标准相关数据

EINECS:
281-013-0