Cas no 86884-21-1 (4,4,4-Trifluoro-3-hydroxybutanoic acid)
4,4,4-Trifluoro-3-hydroxybutanoic acid is a fluorinated β-hydroxy acid with significant utility in organic synthesis and pharmaceutical applications. Its trifluoromethyl group enhances electrophilicity and metabolic stability, making it valuable for designing bioactive compounds. The presence of both hydroxyl and carboxylic acid functionalities allows for versatile reactivity, including esterification, amidation, and chelation. This compound is particularly useful in the synthesis of fluorinated analogs of natural products and as a building block for agrochemicals or medicinal chemistry intermediates. Its structural features contribute to improved lipophilicity and bioavailability in derived compounds. The high purity and well-defined stereochemistry of commercial grades ensure reproducibility in research and industrial applications.
86884-21-1 structure
Product Name:4,4,4-Trifluoro-3-hydroxybutanoic acid
CAS No:86884-21-1
MF:C4H5F3O3
MW:158.075912237167
MDL:MFCD00088012
CID:660267
PubChem ID:228892
Update Time:2025-05-27
4,4,4-Trifluoro-3-hydroxybutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,4,4-Trifluoro-3-hydroxybutanoic acid
- Butanoic acid, 4,4,4-trifluoro-3-hydroxy-
- rac-4,4,4-trifluoro-3-hydroxybutanoic acid
- (+/-)-3-HYDROXY-4,4,4-TRIFLUOROBUTANOIC ACID
- 3-HYDROXY-4,4,4-TRIFLUOROBUTANOIC ACID
- NSC22072
- (S)-4,4,4-Trifluoro-3-hydroxybutyricacid
- (3R)-4,4,4-trifluoro-3-hydroxybutanoic acid
- Butanoic acid,4,4,4-trifluoro-3-hydroxy-, (3R)-
- ASQMUMZEQLWJRC-UHFFFAOYSA-N
- 3672AC
- TRA0100765
- 3-hydroxy-4,4,4-trifluorobutyric acid
- 4,4,4-Trifluoro-3-hydroxybuta
- (RS)-4,4,4-TRIFLUORO-3-HYDROXYBUTYRIC ACID
- (+/-)-3-Hydroxy-4,4,4-trifluorobutanoic acid 97+%
- (+/-)-3-Hydroxy-4,4,4-trifluorobutyric acid
- 3-Hydroxy-4,4,4-trifluorobutyric acid, 3-Hydroxy-3-(trifluoromethyl)propanoic acid
- 4,4,4-Trifluoro-3-hydroxy-butyric acid
- MFCD03093018
- CS-0183072
- 86884-21-1
- MFCD03093017
- (3R)-3-Hydroxy-4,4,4-trifluorobutanoic acid
- (3S)-3-Hydroxy-4,4,4-trifluorobutanoic acid
- SB45819
- MFCD00088012
- DB-062665
- AKOS016843301
- CS-11331
- DB-023917
- (S)-4,4,4-Trifluoro-3-hydroxybutanoic Acid
- SY014726
- SY016101
- 4,4,4-trifluoro-3-hydroxy-butanoic acid
- SB84044
- NSC-22072
- XH1262
- DS-014603
- A12902
- 4,4,4-trifluoro-3-hydroxybutyric acid
- SCHEMBL321641
- 4,4,4-Trifluoro-3-hydroxybutanoicAcid
- (3S)-3-Hydroxy-4,4,4-trifluorobutyric acid
- SB44819
- SY270521
- 400-35-1
- (3R)-3-Hydroxy-4,4,4-trifluorobutyric acid
- (R/S)-4,4,4-trifluoro-3-hydroxybutyric acid, AldrichCPR
- AKOS000282143
-
- MDL： MFCD00088012
- Inchi： 1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
- InChI Key： ASQMUMZEQLWJRC-UHFFFAOYSA-N
- SMILES： C(O)(=O)CC(O)C(F)(F)F
Computed Properties
- Exact Mass: 158.01900
- Monoisotopic Mass: 158.01907850g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 130
- 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
- Topological Polar Surface Area: 57.5
- XLogP3: 0.2
Experimental Properties
- Color/Form: NA
- Density: 1.2±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 317.2±37.0 °C at 760 mmHg
- Flash Point: 117.3±23.2 °C
- PSA: 57.53000
- LogP: 0.38430
- pka: 3.72±0.10(Predicted)
4,4,4-Trifluoro-3-hydroxybutanoic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
4,4,4-Trifluoro-3-hydroxybutanoic 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%
4,4,4-Trifluoro-3-hydroxybutanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | PC6418-1g |
3-Hydroxy-4,4,4-trifluorobutanoic acid |
86884-21-1 | 97% | 1g |
￡58.00 | 2024-05-26 | |
| Apollo Scientific | PC6418-5g |
3-Hydroxy-4,4,4-trifluorobutanoic acid |
86884-21-1 | 97% | 5g |
￡239.00 | 2024-05-26 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y24665-25g |
4,4,4-Trifluoro-3-hydroxybutanoic acid |
86884-21-1 | 95% | 25g |
￥8719.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y24665-10g |
4,4,4-Trifluoro-3-hydroxybutanoic acid |
86884-21-1 | 95% | 10g |
￥5109.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y24665-250mg |
4,4,4-Trifluoro-3-hydroxybutanoic acid |
86884-21-1 | 95% | 250mg |
￥479.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y24665-5g |
4,4,4-Trifluoro-3-hydroxybutanoic acid |
86884-21-1 | 95% | 5g |
￥3489.0 | 2023-09-05 | |
| Chemenu | CM308931-10g |
4,4,4-Trifluoro-3-hydroxybutanoic acid |
86884-21-1 | 95% | 10g |
$408 | 2021-08-18 | |
| Chemenu | CM308931-10g |
4,4,4-Trifluoro-3-hydroxybutanoic acid |
86884-21-1 | 95% | 10g |
$408 | 2022-05-28 | |
| abcr | AB526465-250 mg |
4,4,4-Trifluoro-3-hydroxybutanoic acid; 95% |
86884-21-1 | 250MG |
€143.00 | 2022-06-09 | ||
| abcr | AB526465-1 g |
4,4,4-Trifluoro-3-hydroxybutanoic acid; 95% |
86884-21-1 | 1g |
€203.00 | 2022-06-09 |
4,4,4-Trifluoro-3-hydroxybutanoic acid Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
86884-21-1 (4,4,4-Trifluoro-3-hydroxybutanoic acid) Related Products
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