120418-31-7 (1,2,8,9-四氯二苯并-对-二恶英,1,1'-carbonylbis(3-methylimidazolium) triflate)

CAS号:
120418-31-7
中文名称:
1,2,8,9-四氯二苯并-对-二恶英
英文名称:
1,1'-carbonylbis(3-methylimidazolium) triflate
分子式:
C11H12F6N4O7S2
分子量:
490.356000900269

1,2,8,9-四氯二苯并-对-二恶英(120418-31-7)名称与标识符

名称

中文别名:
1,1''-羰基二(3-甲基-1H-咪唑-3-鎓)三氟甲磺酸;1,1'-羰基二(3-甲基-1H-咪唑-3-鎓)三氟甲磺酸;1,2,8,9-四氯二苯并-对-二恶英;
英文别名:
1,1'-carbonylbis(3-methylimidazolium) triflate;1,1´-Carbonylbis(3-methylimidazolium) Triflate;1,1?-Carbonylbis(3-methylimidazolium) Triflate;PC7301;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) triflate;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) ditriflate;1,1'-Carbonyldi(3-methyl-1H-imidazol-3-ium) trifluoromethanesulphonate;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) trifluoromethanesulfonate;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) bis(trifluoromethanesulphonate);AKOS025394249;1,1,1-Trifluoromethanesulfonate;;MFCD00269944;120418-31-7;G68950;1,1'-carbonylbis(3-methyl-imidazolium) triflate;DTXSID20378475;bis(3-methylimidazol-3-ium-1-yl)methanone;trifluoromethanesulfonate;C11H12F6N4O7S2;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium)trifluoromethanesulfonate;1,1'-Carbonylbis[3-methyl-1H-imidazolium;CS-0442383;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) bis(trifluoromethanesulfonate);DB-124589;SCHEMBL451643;J-004331;1,1'-carbonylbis(3-methylimidazolium)triflate;1,1'-Carbonyl-bis(3-methylimidazolium) triflate;3-methyl-1-(3-methyl-1H-imidazol-3-ium-1-carbonyl)-1H-imidazol-3-ium ditrifluoromethanesulfonate;1,1'-Carbonylbis[3-Methyl-1H-iMidazoliuM 1,1,1-TrifluoroMethanesulfonate;

标识符

MDL:
MFCD00269944
InChIKey:
BWBZTXSPTHTBBM-UHFFFAOYSA-L
Inchi:
1S/C9H12N4O.2CHF3O3S/c1-10-3-5-12(7-10)9(14)13-6-4-11(2)8-13;2*2-1(3,4)8(5,6)7/h3-8H,1-2H3;2*(H,5,6,7)/q+2;;/p-2
SMILES:
S(C(F)(F)F)(=O)(=O)[O-].S(C(F)(F)F)(=O)(=O)[O-].O=C(N1C=C[N+](C)=C1)N1C=C[N+](C)=C1

1,2,8,9-四氯二苯并-对-二恶英(120418-31-7)物化性质

实验特性

  • LogP : 1.71940
  • PSA : 165.85000
  • 熔点 : 78-80
  • 溶解度 : Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)

计算特性

  • 精确分子量 : 490.00500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 490.00516005g/mol
  • 重原子数量 : 30
  • 复杂度 : 356
  • 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 : 3
  • 拓扑分子极性表面积 : 166Ų

1,2,8,9-四氯二苯并-对-二恶英(120418-31-7)安全信息

1,2,8,9-四氯二苯并-对-二恶英(120418-31-7)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1,2,8,9-四氯二苯并-对-二恶英(120418-31-7)参考资料

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