Cas no 99660-52-3 (2-Naphthalenecarboxylic acid, 4-(acetyloxy)-6-bromo-, methyl ester)
99660-52-3 structure
Product Name:2-Naphthalenecarboxylic acid, 4-(acetyloxy)-6-bromo-, methyl ester
CAS No:99660-52-3
MF:C14H11BrO4
MW:323.138743638992
CID:832385
PubChem ID:73013760
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 4-(acetyloxy)-6-bromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-6-bromo-, methyl ester
- 4-(ACETYLOXY)-6-BROMO-2-NAPHTHALENECARBOXYLIC ACID METHYL ESTER
- Methyl 4-acetoxy-6-bromo-2-naphthoate
- 99660-52-3
- 4-Acetoxy-6-bromo-naphthalene-2-carboxylic acid methyl ester
- 2-Naphthalenecarboxylic acid,4-(acetyloxy)-6-bromo-,methyl ester
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- Inchi： 1S/C14H11BrO4/c1-8(16)19-13-6-10(14(17)18-2)5-9-3-4-11(15)7-12(9)13/h3-7H,1-2H3
- InChI Key： KWOIAMUJKTZFCA-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=CC(C(=O)OC)=CC(=C2C=1)OC(C)=O
Computed Properties
- Exact Mass: 321.98407g/mol
- Monoisotopic Mass: 321.98407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 357
- 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: 3.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.501
- Boiling Point: 440.9°C at 760 mmHg
- Flash Point: 220.5°C
- Refractive Index: 1.612
2-Naphthalenecarboxylic acid, 4-(acetyloxy)-6-bromo-, methyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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