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CAS No.: | 402-17-5 |
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Name: | 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C7H4F3NO3 |
Molecular Weight: | 207.109 |
Synonyms: | 2-Nitro-5-(trifluoromethyl)phenol;3-Hydroxy-4-nitrobenzotrifluoride;α,α,α-Trifluoro-6-nitro-m-cresol; |
EINECS: | 200-528-9 |
Density: | 1.555 g/cm3 |
Boiling Point: | 239.355 °C at 760 mmHg |
Flash Point: | 98.559 °C |
PSA: | 66.05000 |
LogP: | 2.84240 |
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The Phenol, 2-nitro-5-(trifluoromethyl)-, with the CAS registry number 402-17-5, is also known as α,α,α-Trifluoro-6-nitro-m-cresol. This chemical's molecular formula is C7H4F3NO3 and molecular weight is 207.11. What's more, its systematic name is 2-Nitro-5-(trifluoromethyl)phenol.
Physical properties of Phenol, 2-nitro-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 110; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 903; (8)ACD/KOC (pH 7.4): 36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 39.66 cm3; (15)Molar Volume: 133.215 cm3; (16)Polarizability: 15.722×10-24 cm3; (17)Surface Tension: 39.98 dyne/cm; (18)Density: 1.555 g/cm3; (19)Flash Point: 98.559 °C; (20)Enthalpy of Vaporization: 49.555 kJ/mol; (21)Boiling Point: 239.355 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc(cc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO3/c8-7(9,10)4-1-2-5(11(13)14)6(12)3-4/h1-3,12H
(3)InChIKey: FVKYLHATVWKUMW-UHFFFAOYSA-N