ChemicalBook > CAS DataBase List > 4-Trifluoromethylphenylboronic acid
4-Trifluoromethylphenylboronic acid
- Product Name
- 4-Trifluoromethylphenylboronic acid
- CAS No.
- 128796-39-4
- Chemical Name
- 4-Trifluoromethylphenylboronic acid
- Synonyms
- 4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID;4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;AKOS BRN-0049;17-Dipropionate;RARECHEM AH PB 0095;17-Beta-Estradiol-3;4-Trifluoromethylphe;4-trifluoromethylborate;4-Boronobenzotrifluoride;(4-(trifluoromethyl)phenyl)bor
- CBNumber
- CB7333758
- Molecular Formula
- C7H6BF3O2
- Formula Weight
- 189.93
- MOL File
- 128796-39-4.mol
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4-Trifluoromethylphenylboronic acid Property
- Melting point:
- 245-250 °C(lit.)
- Boiling point:
- 258.6±50.0 °C(Predicted)
- Density
- 1.36±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 7.82±0.10(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- Soluble in DMSO, not in water
- BRN
- 3544189
- InChI
- InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
- InChIKey
- ALMFIOZYDASRRC-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(C(F)(F)F)C=C1)(O)O
- CAS DataBase Reference
- 128796-39-4(CAS DataBase Reference)
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Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-22
- Safety Statements
- 37/39-26-36
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29319090
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501Dispose of contents/container to..…
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 439320
- Product name
- 4-(Trifluoromethyl)phenylboronic acid
- Purity
- ≥95.0%
- Packaging
- 1g
- Price
- $71.7
- Updated
- 2025/07/31
Sigma-Aldrich
- Product number
- 439320
- Product name
- 4-(Trifluoromethyl)phenylboronic acid
- Purity
- ≥95.0%
- Packaging
- 5g
- Price
- $178
- Updated
- 2025/07/31
TCI Chemical
- Product number
- T1788
- Product name
- 4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
- Packaging
- 1g
- Price
- $60
- Updated
- 2025/07/31
TCI Chemical
- Product number
- T1788
- Product name
- 4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
- Packaging
- 5g
- Price
- $143
- Updated
- 2025/07/31
TCI Chemical
- Product number
- T1788
- Product name
- 4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
- Packaging
- 25g
- Price
- $424
- Updated
- 2025/07/31
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4-Trifluoromethylphenylboronic acid Chemical Properties,Usage,Production
Chemical Properties
white powder
Uses
suzuki reaction
Uses
50
Uses
4-(Trifluoromethyl)phenylboronic Acid is a reactant used in the preparation of alkenyl-substituted cyclopenta[b]indole compounds with antitumor activity.
Synthesis
121-43-7
402-43-7
128796-39-4
[Example 4] In this embodiment, the synthesis of 9-[4-(carbazol-9-yl)phenyl]-10-(4-trifluoromethylphenyl)anthracene (CF3CzPA) represented by structural formula (42) is described. [Step 1] Synthesis of 9-bromo-10-(4-trifluoromethylphenyl)anthracene (i) Synthesis of 4-(trifluoromethyl)phenylboronic acid The synthesis scheme of 4-(trifluoromethylphenylboronic acid) is shown in (E-1). (1) 33 g (0.15 mol) of p-bromobenzotrifluoride was added to a 500 mL three-necked flask under nitrogen protection. Subsequently, 200 mL of tetrahydrofuran (THF) was added and the mixture was stirred. The mixed solution was cooled to -78 °C and 100 mL (0.16 mol) of n-butyllithium (1.6 mol/L) solution was slowly added dropwise through a dropping funnel. After the dropwise addition was completed, stirring was continued for 1 hour by keeping it at -78°C. Then, 22.3 mL (0.20 mol) of trimethyl borate was added and the reaction mixture was gradually warmed to room temperature and stirred for about 12 hours. After the reaction was completed, 100 mL of dilute hydrochloric acid (1 mol/L) was added to the reaction solution and stirring was continued for 1 hour. The aqueous layer was extracted three times with ethyl acetate, the organic layers were combined, washed once with saturated brine and dried with magnesium sulfate. The magnesium sulfate was removed by filtration and the filtrate was concentrated to obtain the solid product. The solid was washed with chloroform to give a final 15 g of white solid target product 4-trifluoromethylphenylboronic acid in 54% yield.
References
[1] Patent: WO2008/26614, 2008, A1. Location in patent: Page/Page column 93-95
[2] Journal of the Chemical Society - Perkin Transactions 1, 1999, # 17, p. 2513 - 2523
[3] Organic and Biomolecular Chemistry, 2012, vol. 10, # 33, p. 6693 - 6704
[4] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 9, p. 1919 - 1922
[5] Journal of Organometallic Chemistry, 2017, vol. 846, p. 305 - 311
4-Trifluoromethylphenylboronic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Trifluoromethylphenylboronic acid manufacturers
Hebei Chuanghai Biotechnology Co., Ltd
- Product
- 4-Trifluoromethylphenylboronic acid 128796-39-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-10-25
Jinan Finer Chemical Co., Ltd
- Product
- 4-Trifluoromethylphenylboronic acid 128796-39-4
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20mt
- Release date
- 2022-10-10
HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
- Product
- 4-Trifluoromethylphenylboronic acid 128796-39-4
- Price
- US $999.00-800.00/ton
- Min. Order
- 1ton
- Purity
- 99%
- Supply Ability
- 5000
- Release date
- 2024-08-21
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