3-Chloro-4-hydroxybenzotrifluoride
- Product Name
- 3-Chloro-4-hydroxybenzotrifluoride
- CAS No.
- 35852-58-5
- Chemical Name
- 3-Chloro-4-hydroxybenzotrifluoride
- Synonyms
- 3-Chloro-4-hydroxybe;2-chloro-4-trifluoromethylphenl;2-Chloro-4-(trifuloromethyl)phenol;3-CHLORO-4-HYDROXYBENZOTRIFLUORIDE;2-CHLORO-4-(TRIFLUOROMETHYL)PHENOL;3-chloro-4-hydroxytrifluoromethylene;Phenol, 2-chloro-4-(trifluoromethyl)-;3-Chloro-4-hydroxybenzotrifluoride98%;3-Chloro-4-hydroxybenzotrifluoride 98%;2-chloro-4-(trifluoromethyl)phenol - [C86577]
- CBNumber
- CB6678371
- Molecular Formula
- C7H4ClF3O
- Formula Weight
- 196.55
- MOL File
- 35852-58-5.mol
3-Chloro-4-hydroxybenzotrifluoride Property
- Boiling point:
- 66°C/13mmHg(lit.)
- Density
- 1.474±0.06 g/cm3(Predicted)
- refractive index
- 1.4740 to 1.4780
- Flash point:
- 68°C(lit.)
- storage temp.
- 2-8°C
- form
- clear liquid
- pka
- 7.09±0.18(Predicted)
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
- InChIKey
- YNWKEXMSQQUMEL-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(F)(F)F)C=C1Cl
- CAS DataBase Reference
- 35852-58-5(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2933499090
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
-
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- CDS003105
- Product name
- 2-Chloro-4-(trifluoromethyl)phenol
- Purity
- AldrichCPR
- Packaging
- 250mg
- Price
- $68.1
- Updated
- 2023/01/07
- Product number
- C3355
- Product name
- 2-Chloro-4-(trifluoromethyl)phenol
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $128
- Updated
- 2025/07/31
- Product number
- C3355
- Product name
- 2-Chloro-4-(trifluoromethyl)phenol
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $513
- Updated
- 2025/07/31
- Product number
- C597128
- Product name
- 2-Chloro-4-(trifluoromethyl)phenol
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 002533
- Product name
- 3-Chloro-4-hydroxybenzotrifluoride
- Purity
- 97%
- Packaging
- 5g
- Price
- $14
- Updated
- 2021/12/16
3-Chloro-4-hydroxybenzotrifluoride Chemical Properties,Usage,Production
Synthesis
402-45-9
35852-58-5
1. Oxidation: 4-(Trifluoromethyl)benzaldehyde (1.54 g, 6.75 mmol, 1.0 eq.) and dichloromethane (20 mL) were added to a round-bottomed flask and m-chloroperoxybenzoic acid (mCPBA, 1.52 g, 6.78 mmol, 1.0 eq.) was added slowly at room temperature. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the reaction was quenched by the addition of saturated aqueous sodium bisulfite solution (15 mL). The mixture was transferred to a partition funnel and extracted with dichloromethane. The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give 4-(trifluoromethyl)phenol in 71% yield. 2. Chlorination reaction: N-chlorosuccinimide (NCS, 25.0 mmol, 3.4 g) and dichloromethane (20.0 mL) were added to another round-bottomed flask and cooled to -78 °C. The reaction was carried out by adding zirconium tetrachloride (ZrCl2) to the mixture. Zirconium tetrachloride (ZrCl4, 0.5 mmol, 300 mg) was added, followed by 4-(trifluoromethyl)phenol (25.0 mmol). The reaction mixture was warmed to room temperature and stirred for 6 hours. After completion of the reaction, it was extracted with saturated aqueous sodium bicarbonate. The organic phases were combined and the solvent was removed under reduced pressure to afford 2-chloro-4-(trifluoromethyl)phenol in 88% yield.
References
[1] Patent: US4607128, 1986, A
[2] Journal of the American Chemical Society, 2009, vol. 131, p. 4031 - 4041
[3] Patent: CN107915584, 2018, A. Location in patent: Paragraph 0025; 0026; 0027; 0028
[4] Patent: CN108276254, 2018, A. Location in patent: Paragraph 0012; 0013; 0014; 0015
[5] Patent: US4076741, 1978, A
3-Chloro-4-hydroxybenzotrifluoride Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Chloro-4-hydroxybenzotrifluoride manufacturers
- Product
- 3-Chloro-4-hydroxybenzotrifluoride 35852-58-5
- Price
- US $0.00-0.00/G
- Min. Order
- 1G
- Purity
- 98%
- Supply Ability
- 20TONS
- Release date
- 2025-11-04
- Product
- 3-Chloro-4-hydroxybenzotrifluoride 35852-58-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 50mg
- Purity
- 99%HPLC
- Supply Ability
- 2000tons
- Release date
- 2020-01-08
- Product
- 3-Chloro-4-hydroxybenzotrifluoride 35852-58-5
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 1000KGS
- Release date
- 2019-12-24