Cas no 129476-47-7 (Benzoic acid,4-(2,2,2-trifluoroacetyl)-, heptyl ester)
129476-47-7 structure
Product Name:Benzoic acid,4-(2,2,2-trifluoroacetyl)-, heptyl ester
CAS No:129476-47-7
MF:C16H19F3O3
MW:316.315475702286
CID:185393
PubChem ID:608426
Update Time:2025-04-19
Benzoic acid,4-(2,2,2-trifluoroacetyl)-, heptyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(2,2,2-trifluoroacetyl)-, heptyl ester
- heptyl 4-(2,2,2-trifluoroacetyl)benzoate
- ETH 6010
- CARBONATE IONOPHORE I
- carbonate ionophore i solution
- HEPTYL 4-TRIFLUOROACETYLBENZOATE
- FLUKABRAND SELECTOPHORE CARBONATE &
- CARBONATE IONOPHORE I, 50 MG IN 0.5 ML T HF
- ETH 6010, Heptyl 4-trifluoroacetylbenzoate
- 4-Trifluoroacetyl-benzoic acid, heptyl ester
- Heptyl 4-(trifluoroacetyl)benzoate #
- heptyl-4-trifluoro-acetyl benzoate
- FT-0731844
- SCHEMBL2184869
- DTXSID70345970
- Heptyl 4-(trifluoroacetyl)benzoate
- 129476-47-7
-
- Inchi： 1S/C16H19F3O3/c1-2-3-4-5-6-11-22-15(21)13-9-7-12(8-10-13)14(20)16(17,18)19/h7-10H,2-6,11H2,1H3
- InChI Key： CQFKNHZFYMLLPK-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC(=CC=1)C(=O)OCCCCCCC)=O)(F)F
Computed Properties
- Exact Mass: 316.12862895g/mol
- Monoisotopic Mass: 316.12862895g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 358
- 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: 6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Flash Point: -17?°C
Benzoic acid,4-(2,2,2-trifluoroacetyl)-, heptyl ester Security Information
- Hazardous Material transportation number：UN 2056 3/PG 2
- WGK Germany：3
- Hazard Category Code： 11-19-36/37/38-40-36/37
- Safety Instruction： 16-26-29-33-36-36/37
- FLUKA BRAND F CODES：3-10-34
-
Hazardous Material Identification：
- Storage Condition：2-8°C
Benzoic acid,4-(2,2,2-trifluoroacetyl)-, heptyl ester Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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