Cas no 889940-13-0 (3,3,3-Trifluoro-2,2-dimethylpropanoic acid)
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,3,3-Trifluoro-2,2-dimethylpropionic acid
- 3,3,3-Trifluoro-2,2-
- 2-trifluoromethyl-isobutyric acid
- 3,3,3-Trifluoro-2,2-dimethylpropanoic Acid
- 3,3,3-Trifluoro-2,2-dimethyl-propionic acid
- VMFSJVUPIXOCFO-UHFFFAOYSA-N
- BCP05886
- EBD49280
- SBB087114
- STL555948
- BBL102149
- TRA0048052
- SY023457
- AK166953
- 2-(Trifluoromethyl)-2-methylpropanoic acid
- 3,3,3-trifluoro-2,2
- 3,3,3-Trifluoro-2,2-dimethylpropanoic acid (ACI)
- 2,2-Dimethyl-3,3,3-trifluoropropanoic acid
- 889940-13-0
- DTXCID80551560
- DTXSID00600802
- 3,3,3-Trifluoro-2,2-dimethylpropionic acid, 97%
- SCHEMBL247988
- MFCD08445819
- SB40443
- 3,3,3-trifluoro-2,2-dimethylpropanoicacid
- J-511046
- CS-W008045
- 3,3,3-trifluoro-2,2-dimethylpropionic a&
- T3450
- AKOS005063382
- EN300-126441
- DS-9198
- DB-001240
- 3,3,3-Trifluoro-2,2-dimethylpropanoic acid
-
- MDL: MFCD08445819
- Inchi: 1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
- InChI Key: VMFSJVUPIXOCFO-UHFFFAOYSA-N
- SMILES: O=C(C(C(F)(F)F)(C)C)O
Computed Properties
- Exact Mass: 156.04000
- Monoisotopic Mass: 156.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 148
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: White crystals
- Density: 1.278
- Melting Point: 71.0 to 75.0 deg-C
- Boiling Point: 76-77℃/14mm(lit.)
- Flash Point: 46.6 °C
- Refractive Index: 1.363
- PSA: 37.30000
- LogP: 1.65950
- Solubility: Not determined
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H290-H314
- Warning Statement: P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- PackingGroup:III
- Storage Condition:Sealed in dry,2-8°C
- Risk Phrases:R36/37/38
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Customs Data
- HS CODE:2915900090
- Customs Data:
China Customs Code:
2915900090Overview:
2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 043624-250mg |
3,3,3-Trifluoro-2,2-dimethylpropionic acid |
889940-13-0 | 97% | 250mg |
£19.00 | 2022-03-01 | |
| Fluorochem | 043624-5g |
3,3,3-Trifluoro-2,2-dimethylpropionic acid |
889940-13-0 | 97% | 5g |
£93.00 | 2022-03-01 | |
| Fluorochem | 043624-10g |
3,3,3-Trifluoro-2,2-dimethylpropionic acid |
889940-13-0 | 97% | 10g |
£173.00 | 2022-03-01 | |
| Chemenu | CM104995-100g |
3,3,3-trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 95%+ | 100g |
$1660 | 2021-08-06 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024442-1g |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 97% | 1g |
¥85 | 2024-05-21 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024442-250mg |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 97% | 250mg |
¥36 | 2024-05-21 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T70640-1g |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 97% | 1g |
¥73.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T70640-5g |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 97% | 5g |
¥269.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T70640-250mg |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 97% | 250mg |
¥30.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T70640-100mg |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid |
889940-13-0 | 97% | 100mg |
¥24.0 | 2023-09-06 |
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Production Method
Production Method 1
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Preparation Products
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Suppliers
3,3,3-Trifluoro-2,2-dimethylpropanoic acid Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
Additional information on 3,3,3-Trifluoro-2,2-dimethylpropanoic acid
Comprehensive Overview of 3,3,3-Trifluoro-2,2-dimethylpropanoic acid (CAS No. 889940-13-0): Properties, Applications, and Industry Relevance
3,3,3-Trifluoro-2,2-dimethylpropanoic acid (CAS No. 889940-13-0) is a fluorinated carboxylic acid derivative that has garnered significant attention in pharmaceutical, agrochemical, and material science research. Its unique molecular structure, characterized by a trifluoromethyl group and two methyl groups adjacent to the carboxylic acid functionality, imparts exceptional chemical stability and reactivity. This compound is increasingly sought after for its role in synthesizing high-value intermediates, particularly in the development of bioactive molecules and specialty polymers.
In recent years, the demand for fluorinated compounds like 3,3,3-Trifluoro-2,2-dimethylpropanoic acid has surged due to their applications in drug discovery and precision agriculture. Researchers are exploring its potential as a building block for proteolysis-targeting chimeras (PROTACs), a cutting-edge therapeutic modality. Additionally, its lipophilicity-enhancing properties make it invaluable for optimizing the pharmacokinetic profiles of small-molecule drugs, addressing common challenges such as metabolic stability and membrane permeability.
The synthesis of 3,3,3-Trifluoro-2,2-dimethylpropanoic acid typically involves multi-step processes, including nucleophilic trifluoromethylation and oxidation reactions. Advanced techniques like flow chemistry have been employed to improve yield and scalability, aligning with the industry's shift toward green chemistry and sustainable manufacturing. Environmental considerations are paramount, and this compound's low persistence in ecosystems positions it favorably compared to traditional halogenated analogs.
From an analytical standpoint, 3,3,3-Trifluoro-2,2-dimethylpropanoic acid is characterized using NMR spectroscopy, mass spectrometry, and HPLC. Its pKa value and solubility profile are critical parameters for formulation scientists, especially when designing drug delivery systems. The compound's compatibility with aqueous and organic solvents further expands its utility in diverse reaction conditions.
Market trends indicate growing interest in custom synthesis services for 3,3,3-Trifluoro-2,2-dimethylpropanoic acid, driven by R&D investments in orphan drugs and personalized medicine. Regulatory agencies emphasize thorough impurity profiling and quality control, necessitating robust analytical protocols. As industries prioritize carbon footprint reduction, the compound's efficient synthesis routes and minimal waste generation resonate with ESG (Environmental, Social, and Governance) goals.
In conclusion, 3,3,3-Trifluoro-2,2-dimethylpropanoic acid (CAS No. 889940-13-0) exemplifies the convergence of innovation and sustainability in modern chemistry. Its versatility across life sciences and advanced materials underscores its strategic importance, while ongoing research continues to unlock novel applications. For laboratories and manufacturers, staying abreast of its synthetic methodologies and emerging use cases is essential to capitalize on its full potential.
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