Cas no 114645-35-1 (2-hydroxy-2-trifluoromethylbutyric acid)
114645-35-1 structure
Product Name:2-hydroxy-2-trifluoromethylbutyric acid
CAS No:114645-35-1
MF:C5H7F3O3
MW:172.102492570877
CID:894698
Update Time:2025-04-19
2-hydroxy-2-trifluoromethylbutyric acid Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-2-trifluoromethylbutyric acid
- 2-hydroxy-2-(trifluoromethyl)butanoic acid
- PC4863
- RARECHEM AL BO 1909
- 2-HYDROXY-2-(TRIFLUOROMETHYL)BUTYRIC ACID
- 2-Hydroxy-2-(trifluoromethyl)butyricacid97%
- 2-Hydroxy-2-(trifluoromethyl)butyric acid 97%
-
- Inchi： 1S/C5H7F3O3/c1-2-4(11,3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
- InChI Key： HPUAIGRGCRIKGO-UHFFFAOYSA-N
- SMILES： C(O)(CC)(C(=O)O)C(F)(F)F
Computed Properties
- Exact Mass: 172.03500
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 165
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1
Experimental Properties
- Color/Form: Not determined
- Boiling Point: 195-198°C
- PSA: 57.53000
- LogP: 0.77440
- Solubility: Not determined
2-hydroxy-2-trifluoromethylbutyric acid Security Information
- Hazard Statement： Corrosive
- Hazard Category Code： 34-36/37/38
- Safety Instruction： 26-36/37/39
-
Hazardous Material Identification：
2-hydroxy-2-trifluoromethylbutyric acid Customs Data
- HS CODE：2918199090
- Customs Data：
China Customs Code:
2918199090Overview:
HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
2-hydroxy-2-trifluoromethylbutyric acid Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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