四氯邻苯二甲酸 | 632-58-6
四氯邻苯二甲酸
3,4,5,6-Tetrachlorophthalic Acid
632-58-6
C8H2Cl4O4
303.9111
名称和标识符
MDL |
MFCD00053309 |
InChIKey |
WZHHYIOUKQNLQM-UHFFFAOYSA-N |
Inchi |
1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16) |
SMILES |
ClC1=C(C(=C(C(C(=O)O[H])=C1C(=O)O[H])Cl)Cl)Cl |
BRN |
1914906 |
别名信息
- 中文别名 -
- 四氯邻苯二甲酸
- 四氯酞酸
- 四氯苯二甲酸
- 四氟邻苯二甲酸
- 四氯邻苯二甲酸 半水合物
- 四氯酞酸半水合物
- 3,4,5,6-四氯-1,2-苯二甲酸半水合物
- Tetrachlorophthalic Acid Hemihydrate 四氯酞酸半水合物
- 3,4,5,6-四氯-1,2-苯二甲酸 半水合物
- 英文别名 -
- 3,4,5,6-Tetrachlorophthalic acid
- RARECHEM AL BO 1285
- TCPA
- TIMTEC-BB SBB001247
- Tetrachloro-1,2-benzenedicarboxylic acid
- 2-Benzenedicarboxylicacid,3,4,5,6-tetrachloro-1
- 3,4,5,6-tetrachloro-1,2-benzenedicarboxylicacid
- 3,4,5,6-tetrachloro-2-benzenedicarboxylicacid
- Tetrafluorophthalic acid
- Tetrachlorophthalic acid hemihydrate
- Tetrachlorophthalic acid
- Phthalic acid, perchloro-
- Phthalic acid, tetrachloro-
- 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-
- W0ENH3M7X7
- WZHHYIOUKQNLQM-UHFFFAOYSA-N
- 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylic acid
- 3,4,5,6-Tetrachloro-1,2-benzenedicarboxylic acid
- AK111117
- Phthalic acid, 3,4,5,6-tetrachloro-
- 3,4,5,6-Tetrachlorophthalic acid #
- 3,4,5,6-Tetrachlorophthalicacid
- Q27292133
- Tetrachlorophthalic Acid Hemihydrate
- MFCD29035077
- W-104921
- NS00000491
- tetrachlorobenzene-1,2-dicarboxylic acid
- NSC193510
- EINECS 211-181-2
- BRN 1914906
- SCHEMBL27772
- T0070
- InChI=1/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16
- FT-0632687
- 632-58-6
- AI3-16302
- UNII-W0ENH3M7X7
- 3-09-00-04205 (Beilstein Handbook Reference)
- A834299
- AKOS005445642
- DTXSID6060896
- 58086-90-1
- D70427
- TETRACHLOROPHTHALIC ACID
- NSC-193510
- C8H2Cl4O4
- 110471-67-5
- NSC 193510
- AC-4659
- GS-6683
物化性质
实验特性
LogP |
3.69660 |
PSA |
74.60000 |
折射率 |
1.5282 (estimate) |
水溶性 |
略溶 |
沸点 |
439.1°C at 760 mmHg |
熔点 |
98 ºC |
闪点 |
219.4 °C |
颜色与性状 |
白色片状物。 |
稳定性 |
Stable. Incompatible with strong oxidizing agents. |
溶解性 |
微溶于水。 |
密度 |
1.8331 (rough estimate) |
计算特性
精确分子量 |
301.87100 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
301.870719 |
重原子数量 |
16 |
复杂度 |
280 |
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) |
3.5 |
表面电荷 |
0 |
拓扑分子极性表面积 |
74.6 |
相关文献
-
1.
Using halogen?halogen interactions or C/N–H?Cl hydrogen bonding to direct crystal packing in tetrachlorophthalic acid with N-heterocyclic compounds
Yanjing Hu,Zhiqiang Li,Yiran Zhao,Yu Yang,Faqian Liu,Lei Wang RSC Adv. 2015 5 10275
-
2.
Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline
Yaxuan Chen,Guocheng Liu,Xiuli Wang,Xue Lu,Na Xu,Zhihan Chang,Zhong Zhang,Xiaohui Li CrystEngComm 2021 23 8077
-
3.
Common xanthene fluorescent dyes are visible-light activatable CO-releasing molecules
Marek Martínek,Lucie Ludvíková,Mária ?ranková,Rafael Navrátil,Lucie Muchová,Ji?í Huzlík,Libor Vítek,Petr Klán,Peter ?ebej Org. Biomol. Chem. 2023 21 93
-
4.
Organic chemistry
J. Chem. Soc. Abstr. 1909 96 A349
-
5.
Organic chemistry
J. Chem. Soc. Abstr. 1915 108 i489
-
6.
A new t-butyl-based acid-labile protecting group for the guanidine function of N
α-fluorenylmethoxycarbonyl-arginine
T. Johnson,R. C. Sheppard α-fluorenylmethoxycarbonyl-arginine. T. Johnson R. C. Sheppard J. Chem. Soc. Chem. Commun. 1990 1605
-
7.
Organic chemistry
J. Chem. Soc. Abstr. 1888 54 796
-
8.
Index of authors' names
J. Chem. Soc. Abstr. 1887 52 1151
-
9.
Organic chemistry
J. Chem. Soc. Abstr. 1882 42 1179
-
10.
Organic chemistry
J. Chem. Soc. Abstr. 1886 50 679
参考资料
Reaxys RN |
1914906 |
Beilstein |
9(3)4205 |
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