2,3,4,5-四氯苯甲酸 | 50-74-8
2,3,4,5-四氯苯甲酸
2,3,4,5-Tetrachlorobenzoic acid
50-74-8
C7H2Cl4O2
259.9016
名称和标识符
MDL |
MFCD00061126 |
InChIKey |
FUXMTEKFGUWSNC-UHFFFAOYSA-N |
Inchi |
1S/C7H2Cl4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13) |
SMILES |
ClC1=C(C(=C(C([H])=C1C(=O)O[H])Cl)Cl)Cl |
BRN |
1968627 |
别名信息
- 中文别名 -
- 2,3,4,5-四氯苯甲酸
- 2,3,4,5-四氯安息香酸
- 2,3,4,5-Tetrachlorobenzoic Acid 2,3,4,5-四氯苯甲酸
- 英文别名 -
- 2,3,4,5-Tetrachlorobenzoic acid
- 2,3,4,5-tetrachloro-benzoic acid
- 2,3,4,5-tetrachloro-benzoicaci
- 2,3'-DIMETHOXYBENZOPHENONE
- 2.3.4.5-Tetrachlor-benzoesaeure
- 3,4,5,6-tetrachlorobenzoic acid
- 2,3,4,5-Tetrachlorobenzoicacid
- Benzoic acid, 2,3,4,5-tetrachloro-
- FUXMTEKFGUWSNC-UHFFFAOYSA-N
- Benzoic acid, tetrachloro-
- tetrachlorobenzoic acid
- PubChem20579
- C7H2Cl4O2
- Benzoic acid,2,3,4,5-tetrachloro-
- 2,4,5,6(1H,3H)-Pyrimidinetetraone
- AS04567
- H599
- A828281
- 2,3,4,5-TETRACHLOROBENZOIC ACID
- CS-0213104
- AKOS015963373
- BRN 1968627
- MFCD00061126
- DTXSID20870383
- AC-19970
- AI3-33359
- FT-0698492
- 50-74-8
- SCHEMBL1437003
- 2,3,4,5-Tetrachloro Benzoic Acid
- LS-38293
- T2378
- 27358-02-7
- s10913
- SY053103
物化性质
实验特性
LogP |
3.99840 |
PSA |
37.30000 |
折射率 |
1.622 |
沸点 |
362.9°C at 760 mmHg |
熔点 |
195 °C |
蒸气压 |
6.65E-06mmHg at 25°C |
闪点 |
173.3°C |
颜色与性状 |
白色或者类白色结晶粉末。 |
溶解性 |
未确定 |
密度 |
1.735 g/cm3 |
计算特性
精确分子量 |
257.88100 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
1 |
同位素质量 |
257.881 |
重原子数量 |
13 |
复杂度 |
211 |
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) |
4 |
表面电荷 |
0 |
拓扑分子极性表面积 |
37.3 |
相关文献
-
1.
The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes
Wataru Kosaka,Masahisa Itoh,Hitoshi Miyasaka Dalton Trans. 2015 44 8156
-
2.
Nickel-catalyzed Suzuki–Miyaura type cross-coupling reactions of (2,2-difluorovinyl)benzene derivatives with arylboronic acids
Yang Xiong,Tao Huang,Xinfei Ji,Jingjing Wu,Song Cao Org. Biomol. Chem. 2015 13 7389
-
3.
Design, synthesis and biological evaluation of novel trimethylpyrazine-2-carbonyloxy-cinnamic acids as potent cardiovascular agents
Hongfei Chen,Guoning Li,Peng Zhan,Hong Li,Shouxun Wang,Xinyong Liu Med. Chem. Commun. 2014 5 711
-
4.
Optimisation of the allylsilane approach to C-10 deoxo carba analogues of dihydroartemisinin: synthesis and in vitro
antimalarial activity of new, metabolically stable C-10 analogues
Paul M. O'Neill,Matthew Pugh,Andrew V. Stachulski,Stephen A. Ward,Jill Davies,B. Kevin Park antimalarial activity of new metabolically stable C-10 analogues. Paul M. O'Neill Matthew Pugh Andrew V. Stachulski Stephen A. Ward Jill Davies B. Kevin Park J. Chem. Soc. Perkin Trans. 1 2001 2682
参考资料
Reaxys RN |
1968627 |
Beilstein |
9(4)1010 |
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