Phenol, 2-nitro-5-(trifluoromethyl)- supplier

Name
2-NITRO-5-(TRIFLUOROMETHYL)PHENOL
EINECS 200-528-9
CAS No. 402-17-5
Article Data19
CAS DataBase
Density 1.555 g/cm³
Solubility
Melting Point
Formula C₇H₄F₃NO₃
Boiling Point 239.355 °C at 760 mmHg
Molecular Weight 207.109
Flash Point 98.559 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Nitro-5-(trifluoromethyl)phenol;3-Hydroxy-4-nitrobenzotrifluoride;α,α,α-Trifluoro-6-nitro-m-cresol;
PSA 66.05000
LogP 2.84240

Phenol, 2-nitro-5-(trifluoromethyl)- Specification

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^-24cm³; (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

Product Name

2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

Phenol, 2-nitro-5-(trifluoromethyl)- Specification

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