Cas no 28283-88-7 (Benzoic acid,3-amino-2,5-dichloro-, aluminum salt (3:1))
28283-88-7 structure
Product Name:Benzoic acid,3-amino-2,5-dichloro-, aluminum salt (3:1)
CAS No:28283-88-7
MF:C21H12AlCl6N3O6
MW:642.036018371582
CID:258995
PubChem ID:186122
Update Time:2025-04-19
Benzoic acid,3-amino-2,5-dichloro-, aluminum salt (3:1) Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3-amino-2,5-dichloro-, aluminum salt (3:1)
- Benzoic acid, 3-amino-2,5-dichloro-, aluminum salt
- Benzoic acid, 3-amino-2,5-dichloro-, aluminum salt (3:1)
- Amiben aluminum salt
- 28283-88-7
- Aluminum 3-amino-2,5-dichlorobenzoate
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- Inchi： 1S/3C7H5Cl2NO2.Al/c3*8-3-1-4(7(11)12)6(9)5(10)2-3;/h3*1-2H,10H2,(H,11,12);/q;;;+3/p-3
- InChI Key： QJYBQRLDTDYEQU-UHFFFAOYSA-K
- SMILES： ClC1C(=CC(=CC=1C(=O)[O-])Cl)N.ClC1C(=CC(=CC=1C(=O)[O-])Cl)N.ClC1C(=CC(=CC=1C(=O)[O-])Cl)N.[Al+3]
Computed Properties
- Exact Mass: 638.86756
- Monoisotopic Mass: 638.867
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 37
- Rotatable Bond Count: 0
- Complexity: 183
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 198?2
Experimental Properties
- Density: 1.607
- Melting Point: 200-201 DEG C
- Boiling Point: 373.2°Cat760mmHg
- Flash Point: 179.5°C
- PSA: 198.45
Benzoic acid,3-amino-2,5-dichloro-, aluminum salt (3:1) Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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