2-amino-alpha,alpha,alpha-trifluoro-p-creso
- Product Name
- 2-amino-alpha,alpha,alpha-trifluoro-p-creso
- CAS No.
- 454-81-9
- Chemical Name
- 2-amino-alpha,alpha,alpha-trifluoro-p-creso
- Synonyms
- T5394155;5-Amino-2-trifluoromethyl-phenol;4-(Trifluoromethyl)-2-aminophenol;3-AMINO-4-HYDROXYBENZOTRIFLUORIDE;2-amino-4-(trifluoromethyl)phenol;2-azanyl-4-(trifluoromethyl)phenol;Phenol, 2-amino-4-(trifluoromethyl)-;2-Hydroxy-5-(trifluoromethyl)aniline;3-Amino-4-hydroxybenzotrifluoride 95%;2-Amino-4-(trifluoromethyl)phenol, HCl
- CBNumber
- CB8872568
- Molecular Formula
- C7H6F3NO
- Formula Weight
- 177.12
- MOL File
- 454-81-9.mol
2-amino-alpha,alpha,alpha-trifluoro-p-creso Property
- Melting point:
- 121-122 °C(Solv: benzene (71-43-2))
- Boiling point:
- 234.5±40.0 °C(Predicted)
- Density
- 1.432±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Solid
- pka
- 8.36±0.18(Predicted)
- InChI
- InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2
- InChIKey
- BHTKIYIEMXRHGL-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(F)(F)F)C=C1N
Safety
- HS Code
- 2908190090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- A631250
- Product name
- 2-Amino-4-(trifluoromethyl)phenol
- Packaging
- 1g
- Price
- $110
- Updated
- 2021/12/16
- Product number
- 260395
- Product name
- 3-Amino-4-hydroxybenzotrifluoride
- Packaging
- 1g
- Price
- $523
- Updated
- 2021/12/16
- Product number
- FA44858
- Product name
- 3-Amino-4-hydroxybenzotrifluoride
- Packaging
- 5G
- Price
- $420
- Updated
- 2021/12/16
- Product number
- CS-W021552
- Product name
- 2-Amino-4-(trifluoromethyl)phenol
- Purity
- >98.0%
- Packaging
- 25g
- Price
- $506
- Updated
- 2021/12/16
- Product number
- CHM0093906
- Product name
- 3-AMINO-4-HYDROXYBENZOTRIFLUORIDE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $837.99
- Updated
- 2021/12/16
2-amino-alpha,alpha,alpha-trifluoro-p-creso Chemical Properties,Usage,Production
Uses
2-Amino-4-(trifluoromethyl)phenol is used in the studies on the structure activity relationship of benzoxazolone carboxamides as potent acid ceramidase inhibitors.
Synthesis
400-99-7
454-81-9
The general procedure for the synthesis of 2-amino-4-trifluoromethylphenol from 2-nitro-4-trifluoromethylphenol was as follows: 2-nitro-4-trifluoromethylphenol (340 μL, 2.41 mmol) was dissolved in methanol (50 mL), and catalytically hydrogenated at room temperature and atmospheric pressure using a 10% Pd/C catalyst cartridge through an H-Cube hydrogenation reactor. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure to give 2-amino-4-trifluoromethylphenol (438 mg, 100% yield) as a light brown solid. Mass spectrum (chemical ionization, m/z): [M+H]+ 178, [M-H]- 176; 1H NMR (CDCl3): δ 6.96 (d, J=2.0 Hz, 1H), 6.89-6.94 (m, 1H), 6.74 (d, J=8.2 Hz, 1H), 4.10 (br s, 2H).
References
[1] Patent: WO2009/37293, 2009, A1. Location in patent: Page/Page column 52
[2] Patent: WO2009/37294, 2009, A1. Location in patent: Page/Page column 93
[3] Patent: US2014/142114, 2014, A1. Location in patent: Paragraph 0859; 0860
[4] Phosphorus, Sulfur and Silicon and the Related Elements, 2009, vol. 184, # 3, p. 651 - 659
[5] Patent: WO2005/85202, 2005, A1. Location in patent: Page/Page column 53-54
2-amino-alpha,alpha,alpha-trifluoro-p-creso Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-amino-alpha,alpha,alpha-trifluoro-p-creso manufacturers
- Product
- 2-amino-alpha,alpha,alpha-trifluoro-p-creso 454-81-9
- Price
- US $20.00-7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200000KG
- Release date
- 2024-08-06
- Product
- 2-amino-alpha,alpha,alpha-trifluoro-p-creso 454-81-9
- Price
- US $9.80/KG
- Min. Order
- 1g
- Purity
- ≥99%
- Supply Ability
- 100kg
- Release date
- 2020-01-08