25747-08-4 (酸性媒介黑2B,1-Naphthalenesulfonicacid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-)

CAS号:
25747-08-4
中文名称:
酸性媒介黑2B
英文名称:
1-Naphthalenesulfonicacid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-
分子式:
C20H13N3O7S
分子量:
439.398123502731

酸性媒介黑2B(25747-08-4)名称与标识符

名称

中文别名:
2-羟基-1-(1-羟基-2-萘偶氮)-6-硝基-4-萘磺酸;媒介黑2B;酸性媒介黑2B(黑11);酸性媒介黑2B[黑11];酸性媒介黑T;酸性媒介黑2B;
英文别名:
1-Naphthalenesulfonicacid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-;2-HYDROXY-1-(1-HYDROXY-2-NAPHTHYLAZO)-6-NITRO-4-NAPHTHALENESULFONIC ACID;ACID MORDANT BLACK T;1-(1-hydroxy-2-naphtylazo)-6-nitro-2-naphtol-4-sulfonic acid;3-hydroxy-4-(1-hydroxy-[2]naphthylazo)-7-nitro-naphthalene-1-sulfonic acid;3-Hydroxy-4-(1-hydroxy-[2]naphthylazo)-7-nitro-naphthalin-1-sulfonsaeure;3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonic aci;3-Hydroxy-4-[(1-hydroxynaphthalen-2-yl)azo]-7-nitro-1-naphthalenesulfonic acid;C.I. Mordant Black 11,free acid;C.I.Mordant Black II-Sa;C.I.Mordantblack11;Acid chrome black T;3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonic acid;C.I. Mordant black 11;BRD-K16233984-236-01-4;NS00083093;NSC-7223;NSC47712;SCHEMBL14860593;CHEMBL459510;NCGC00013074;NCIStruc1_001126;NCI60_041574;3-Hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid;Chrome Black TK;Potting Black C;NCI7223;Solochrome Black;3-Hydroxy-4-((1-hydroxy-2-naphthyl)azo)-7-nitronaphthalene-1-sulphonic acid;1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-7-nitro-;CCG-37720;1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-hydroxy-2-naphthalenyl)azo)-7-nitro-;BC 78924;BDBM25317;CHEMBL1513643;4-[(1-hydroxy-2-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid;Q27164048;EINECS 247-237-8;NCGC00013074-02;C.I. 14645;SCHEMBL1470827;25747-08-4;Schultz No. 241;3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonic acid;BDBM50461938;HSCI1_000309;3-Hydroxy-4-((1-hydroxy-2-naphthyl)diazenyl)-7-(hydroxy(oxido)amino)-1-naphthalenesulfonic acid;Chrome Black T;DTXSID0067137;Chrome Black PB;3-hydroxy-4-[(E)-(1-hydroxy-2-naphthyl)azo]-7-nitro-naphthalene-1-sulfonic acid;NCGC00096198-01;3-Hydroxy-4-((1-hydroxy-2-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonic acid;ChemBridge nitronaphthalene-1-sulfonic acid, 14;NSC7223;Chrome Black TX;Diamond Black PT;SCHEMBL14860595;CHEBI:92292;1-(1-hydroxy-2-naphthylazo)-6-nitro-2-naphthol-4-sulfonic acid;NCIStruc2_001169;GDHWAXDSTKHEAZ-UHFFFAOYSA-N;1-Naphthalenesulfonic acid, 3-hydroxy-4-(1-hydroxy-2-naphthylazo)-7-nitro-;

标识符

InChIKey:
GDHWAXDSTKHEAZ-QURGRASLSA-N
Inchi:
1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)/b22-21+
SMILES:
S(C1C=C(C(=C2C=CC(=CC2=1)[N+](=O)[O-])/N=N/C1=CC=C2C=CC=CC2=C1O)O)(=O)(=O)O

酸性媒介黑2B(25747-08-4)物化性质

实验特性

  • LogP : 6.57850
  • PSA : 173.75000
  • 折射率 : 1.747
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 颜色与性状 : 黑褐色粉末
  • 溶解性 : 溶于水。微溶于乙醇、丙酮
  • 密度 : 1.64

计算特性

  • 精确分子量 : 439.04700
  • 氢键供体数量 : 3
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 3
  • 同位素质量 : 439.04742
  • 重原子数量 : 31
  • 复杂度 : 905
  • 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 : 1
  • 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) : 2.8
  • 互变异构体数量 : 11
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 159