Cas no 898598-33-9 (Methyl 4-fluorobenzoate)
Methyl 4-fluorobenzoate structure
Product Name:Methyl 4-fluorobenzoate
CAS No:898598-33-9
MF:C8H7FO2
MW:154.138386011124
CID:706668
Update Time:2023-08-03
Methyl 4-fluorobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-fluoro-, methyl ester, radical ion(1+) (9CI)
- METHYL 4-FLUOROBENZOATE
- 4-Fluorobenzoic Acid Methyl Ester
- Methyl p-fluorobenzoate
- Benzoic acid, 4-fluoro-, methyl ester
- Methyl 4-Fluorobenzoic Acid
- 4-fluoro-benzoic acid methyl ester
- MSEBQGULDWDIRW-UHFFFAOYSA-N
- METHYL4-FLUOROBENZOATE
- PubChem3566
- methyl-4-fluorobenzoate
- ASISCHEM P32019
- KSC490A7H
- 4-F-C6H4-COOCH3
- PARAGOS 390197
- RARECHEM AL BF 0076
- p-Fluorobenzoic acid, methyl ester
- ZI
- Methyl 4-fluorobenzoate
-
- Inchi： 1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
- InChI Key： MSEBQGULDWDIRW-UHFFFAOYSA-N
- SMILES： FC1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 154.043
- Monoisotopic Mass: 154.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 139
- 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: 2.3
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.192
- Boiling Point: 90-92 °C20 mm Hg(lit.)
- Flash Point: 67.4 °C
- Refractive Index: n20/D 1.494(lit.)
Methyl 4-fluorobenzoate Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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