Cas no 1536-78-3 (Acetic acid,2,2,2-trifluoro-, 1-methylpropyl ester)
1536-78-3 structure
Product Name:Acetic acid,2,2,2-trifluoro-, 1-methylpropyl ester
CAS No:1536-78-3
MF:C6H9F3O2
MW:170.129672765732
CID:216146
PubChem ID:244758
Update Time:2025-04-19
Acetic acid,2,2,2-trifluoro-, 1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2,2-trifluoro-, 1-methylpropyl ester
- butan-2-yl 2,2,2-trifluoroacetate
- 2-butyl trifluoroacetate
- 2-trifluoroacetoxybutane
- AC1L6EEM
- AC1Q4I8R
- AR-1I0906
- butan-2-yl trifluoroacetate
- CTK4C7944
- NSC55883
- sec-BuOAc(f)
- sec-butyl trifluoroacetate
- Trifluor-essigsaeure-sec-butylester
- trifluoro-acetic acid sec-butyl ester
- Trifluoroacetic acid, 2-butyl ester
- trifluoro-acetic acid,1-methylpropyl ester
- Acetic acid, 2,2,2-trifluoro-, 1-Methylpropyl ester
- 1536-78-3
- NSC-55883
- SCHEMBL3681851
- DTXSID10288453
- Acetic acid, trifluoro-, 1-methylpropyl ester
-
- Inchi： 1S/C6H9F3O2/c1-3-4(2)11-5(10)6(7,8)9/h4H,3H2,1-2H3
- InChI Key： CQESPDFZIFJLII-UHFFFAOYSA-N
- SMILES： FC(C(=O)OC(C)CC)(F)F
Computed Properties
- Exact Mass: 170.05547
- Monoisotopic Mass: 170.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.15
- Boiling Point: 102.5°Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.352
- PSA: 26.3
Acetic acid,2,2,2-trifluoro-, 1-methylpropyl ester Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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