2-Chloro-5-(trifluoromethyl)benzoic acid
- Product Name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- CAS No.
- 657-06-7
- Chemical Name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- Synonyms
- TIMTEC-BB SBB003328;RARECHEM AL BO 0356;2-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID;2-chloro-5-(trifluoromethoxy)benzoic acid;2-Chloro-5-(trifluoromethyl)benzoicacid98%;Benzoic acid, 2-chloro-5-(trifluoromethyl)-;2-Chloro-5-(trifluoromethyl)benzoic acid 98%;3-Carboxy-4-chlorobenzotrifluoride, 6-Chloro-alpha,alpha,alpha-trifluoro-m-toluic acid
- CBNumber
- CB4124425
- Molecular Formula
- C8H4ClF3O2
- Formula Weight
- 224.56
- MOL File
- 657-06-7.mol
2-Chloro-5-(trifluoromethyl)benzoic acid Property
- Melting point:
- 93-96 °C (lit.)
- Boiling point:
- 270.4±40.0 °C(Predicted)
- Density
- 1.523±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.45±0.25(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
- InChIKey
- WLXRKCGYQAKHSJ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl
- CAS DataBase Reference
- 657-06-7(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39-37
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 376833
- Product name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- Purity
- 98%
- Packaging
- 5g
- Price
- $92.9
- Updated
- 2023/01/07
- Product number
- C432840
- Product name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- C432840
- Product name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- 002641
- Product name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- Purity
- 98+%
- Packaging
- 25g
- Price
- $76
- Updated
- 2021/12/16
- Product number
- 002641
- Product name
- 2-Chloro-5-(trifluoromethyl)benzoic acid
- Purity
- 98+%
- Packaging
- 5g
- Price
- $23
- Updated
- 2021/12/16
2-Chloro-5-(trifluoromethyl)benzoic acid Chemical Properties,Usage,Production
Chemical Properties
Off-white powder
Uses
2-Chloro-5-(trifluoromethyl)benzoic acid may be used as surrogate standard to investigate the pesticide exposure and home contamination in urine and hand wipe samples collected from farmers.
General Description
2-Chloro-5-(trifluoromethyl)benzoic acid is a carboxylic acid building block.
Synthesis
124-38-9
98-56-6
657-06-7
Under nitrogen protection, n-BuLi (2.5 M hexane solution, 22 mL, 55 mmol) was added dropwise to a stirred solution of 4-chlorobenzotrifluoride (9.177 g, 50.8 mmol) and TMEDA (6.3030 g, 54.2 mmol) in THF (89 mL) over a period of 8 min, keeping the reaction temperature at -78 °C. After 52 min of reaction, the reaction solution was transferred via cannula to a vessel containing dry ice (~200 g) within 20 min. Care was taken to keep the cannula fully lagged to prevent rapid darkening of the anion solution on slight warming. The mixture was slowly warmed to room temperature and the solvent was evaporated (temperature controlled at <30°C) to give an orange to yellow solid. The solid was dissolved in water (70 mL) and the aqueous layer was washed with ether (3 x 30 mL). Subsequently, the aqueous layer was adjusted to pH 1 with acid and extracted with DCM (3 x 30 mL). The organic layers were combined, evaporated to dryness (<30°C), and the residue was dissolved in refluxed hexane, hot-filtered and cooled to 4°C for overnight crystallization. The first sand-colored solids (4.5243 g) were obtained by vacuum filtration. The mother liquor was concentrated to half volume to give a second batch of lemon yellow crystals (2.2998 g). The two batches were dried under vacuum to give 4.5030 g and 2.2093 g, respectively, for a total yield of 6.712 g (59%).LCMS analysis showed a purity of 96.3 Apercent (at 254 nm) for the first batch and 95.1 Apercent for the second batch, [M + H] + 225.0, at an Rt = 5.94 min. No starting material was detected.
References
[1] Tetrahedron Letters, 1996, vol. 37, # 16, p. 2767 - 2770
[2] Patent: EP2468746, 2012, A1. Location in patent: Page/Page column 6
[3] Patent: WO2012/85654, 2012, A1. Location in patent: Page/Page column 6; 7
[4] Patent: WO2013/38259, 2013, A1. Location in patent: Page/Page column 11-12
2-Chloro-5-(trifluoromethyl)benzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
2-Chloro-5-(trifluoromethyl)benzoic acid Suppliers
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View Lastest Price from 2-Chloro-5-(trifluoromethyl)benzoic acid manufacturers
- Product
- 2-Chloro-5-(trifluoromethyl)benzoic acid 657-06-7
- Price
- US $1.10-9.90/KG
- Min. Order
- 1KG
- Purity
- 99%min
- Supply Ability
- 100KG
- Release date
- 2025-08-20
- Product
- 2-Chloro-5-(trifluoromethyl)benzoicacid 657-06-7
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 97.6%
- Supply Ability
- 100 tons
- Release date
- 2022-02-18
- Product
- 2-Chloro-5-(trifluoromethyl)benzoic acid 657-06-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- Customized
- Release date
- 2019-06-28