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CAS No.: | 454-82-0 |
---|---|
Name: | 2-HYDROXY-4-(TRIFLUOROMETHYL)ANILINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H6F3NO |
Molecular Weight: | 177.126 |
Synonyms: | 2-Amino-5-(trifluoromethyl)phenol; |
EINECS: | 200-258-5 |
Density: | 1.432 g/cm3 |
Melting Point: | >350 °C |
Boiling Point: | 233.8 °C at 760 mmHg |
Flash Point: | 95.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 46.25000 |
LogP: | 2.57440 |
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The Phenol, 2-amino-5-(trifluoromethyl)-, with the CAS registry number of 454-82-0, is also known as 2-Hydroxy-4-(trifluoromethyl)aniline. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C7H6F3NO and molecular weight is 177.12. What's more, its systematic name is called 2-Amino-5-(trifluoromethyl)phenol.
Physical properties about Phenol, 2-amino-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 35.93; (6)ACD/BCF (pH 7.4): 34.59; (7)ACD/KOC (pH 5.5): 451.36; (8)ACD/KOC (pH 7.4): 434.56; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 37.35 cm3; (15)Molar Volume: 123.6 cm3; (16)Surface Tension: 37.1 dyne/cm; (17)Density: 1.432 g/cm3; (18)Flash Point: 95.2 °C; (19)Enthalpy of Vaporization: 48.96 kJ/mol; (20)Boiling Point: 233.8 °C at 760 mmHg; (21)Vapour Pressure: 0.036 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(cc1O)C(F)(F)F
(2) InChI: InChI=1/C7H6F3NO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
(3) InChIKey: ILZRAAUVZAXXKZ-UHFFFAOYAV