Cas no 96-87-7 (Benzoic acid,2-hydroxy-, 2,4,6-tribromophenyl ester)
96-87-7 structure
Product Name:Benzoic acid,2-hydroxy-, 2,4,6-tribromophenyl ester
Benzoic acid,2-hydroxy-, 2,4,6-tribromophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-, 2,4,6-tribromophenyl ester
- (2,4,6-tribromophenyl) 2-hydroxybenzoate
- 2,4,6-tribromophenyl salicylate
- EINECS 202-542-5
- DTXSID50242074
- SCHEMBL8209230
- NS00040503
- 96-87-7
-
- Inchi： 1S/C13H7Br3O3/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6,17H
- InChI Key： VZWVHUUGXIFDKA-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1OC(C1C=CC=CC=1O)=O)Br)Br
Computed Properties
- Exact Mass: 449.792
- Monoisotopic Mass: 447.795
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 314
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 46.5A^2
Experimental Properties
- Density: 2.051
- Boiling Point: 522.9°Cat760mmHg
- Flash Point: 270.1°C
- Refractive Index: 1.677
Benzoic acid,2-hydroxy-, 2,4,6-tribromophenyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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