30431-54-0 (双草酸酯,bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate)

CAS号:
30431-54-0
中文名称:
双草酸酯
英文名称:
bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate
安全信息:
分子式:
C26H24Cl6O8
分子量:
677.181962966919
简介:
双草酸酯是一种化学物质,分子式为C26H24Cl6O8。
相关分类:

双草酸酯(30431-54-0)名称与标识符

名称

中文别名:
双草酸酯;双(2,4,5–三氯水杨酸正代酯)草酸酯;Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] Oxalate 草酸双[2,4,5-三氯-6-(戊氧羰基)苯基]酯;草酸双[2,4,5-三氯-6-(戊氧基羰基)苯基]酯;双草酸酯(CPPO);草酸双[2,4,5-三氯-6-(戊氧羰基)苯基]酯;双(2,4,5-三氯-6-戊氧羰基苯基)草酸酯;
英文别名:
bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate;CPPO;BIS[2,4,5-TRICHLORO-6-(PENTYLOXYCARBONYLPHENYL)] OXALATE;BIS(2-CARBOPENTYLOXY-3,4,6-TRICHLOROPHENYL) OXALATE;BIS[3,4,6-TRICHLORO-2-(PENTYLOXYCARBONYL)PHENYL] OXALATE;DIPENTYL O,O'-OXALYL-BIS(3,5,6-TRICHLOROSALICYLATE);ethanedioicacid,bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl]ester;OXALIC ACID BIS[2,4,5-TRICHLORO-6-(PENTYLOXYCARBONYL)PHENYL] ESTER;OXALIC ACID BIS(2-CARBOPENTYLOXY-3,4,6-TRICHLOROPHENYL) ESTER;BIS(2,4,5-TRICHLOROPHENYL-6-CARBOPENTOXYPHENYL) OXALATE;Bis(2,4,5-trichloro-6-carbopertoxyphenyl)oxalate;Bis(2-carbopentyloxy-3,5,6-Trichlorophenyl)Oxalate(CPPO);bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate;CIPO;Bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] Oxalate;Oxalic Acid Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] Ester;Bis(6-carbopentoxy-2,4,5-trichlorophenyl) oxalate;30431-54-0;A820371;Ethanedioic acid, bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) ester;W-106942;BIS(2,4,5-TRICHLORO-6-CARBOPENTYLOXYPHENYL)OXALATE;O0236;bis-[2,4,5-Trichloro-6-(penthyloxycarbonyl)phenyl]oxalate;AKOS015837625;DTXSID0067559;NS00004599;AS-73536;FT-0623115;Q15410297;Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester;bis-(2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl)oxalate;Bis[3 pound not4 pound not6-trichloro-2-(pentyloxycarbonyl)phenyl] Oxalate;CS-0152132;BIS(3,4,6-TRICHLORO-2-(PENTYLOXYCARBONYL)PHENYL)OXALATE;OXALIC ACID, DIESTER WITH PENTYL 3,5,6-TRICHLOROSALICYLATE;C26H24Cl6O8;D70542;MFCD00191674;SCHEMBL79416;pentyl 2,3,5-trichloro-6-[(2-oxo-2-{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenoxy}acetyl)oxy]benzoate;bis(3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl) oxalate;EINECS 250-195-3;UNII-44594F9XR2;Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester;bis(6-carbopentoxy-2,4,5-trichlorophenyl)oxalate;Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl]oxalate;Bis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate;Ethanedioic acid, 1,2-bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) ester;44594F9XR2;TZZLVFUOAYMTHA-UHFFFAOYSA-N;DTXCID3038199;

标识符

MDL:
MFCD00191674
InChIKey:
TZZLVFUOAYMTHA-UHFFFAOYSA-N
Inchi:
1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
SMILES:
ClC1=C(C=C(C(=C1C(=O)OCCCCC)OC(C(=O)OC1C(=CC(=C(C=1C(=O)OCCCCC)Cl)Cl)Cl)=O)Cl)Cl

双草酸酯(30431-54-0)物化性质

实验特性

  • LogP : 8.81200
  • PSA : 105.2
  • 折射率 : 1.565
  • 沸点 : 692.1±55.0 °C at 760 mmHg
  • 熔点 : 81.0 to 84.0 deg-C
  • 闪点 : 202.4±30.5 °C
  • 溶解度 : Insuluble (4.5E-8 g/L) (25 ºC),
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.434±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 673.96052
  • 氢键供体数量 : 0
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 17
  • 同位素质量 : 673.960234
  • 重原子数量 : 40
  • 复杂度 : 795
  • 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) : 10.6
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 105

双草酸酯(30431-54-0)国际标准相关数据

EINECS:
250-195-3

双草酸酯(30431-54-0)生产方法和用途

用途:
用作发光材料

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双草酸酯(30431-54-0)参考资料

Reaxys RN:
2932173
PubChem CID: