Cas no 78647-90-2 (Benzoic acid, 2,4,5-trichloro-3-methoxy-)
78647-90-2 structure
Product Name:Benzoic acid, 2,4,5-trichloro-3-methoxy-
CAS No:78647-90-2
MF:C8H5Cl3O3
MW:255.482499837875
CID:1796233
Update Time:2024-11-27
Benzoic acid, 2,4,5-trichloro-3-methoxy- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,4,5-trichloro-3-methoxy-
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- Inchi： 1S/C8H5Cl3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
- InChI Key： XXHRQJDXWCOBMD-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC(Cl)=C(Cl)C(OC)=C1Cl
Experimental Properties
- Density: 1.578±0.06 g/cm3(Predicted)
- Melting Point: 174.0-177.5 °C
- Boiling Point: 367.6±37.0 °C(Predicted)
- pka: 2.12±0.32(Predicted)
Benzoic acid, 2,4,5-trichloro-3-methoxy- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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