4-Methyl-3-nitrobenzotrifluoride supplier

Name
4-Methyl-3-nitrobenzotrifluoride
EINECS
CAS No. 65754-26-9
Article Data2
CAS DataBase
Density 1.357 g/cm³
Solubility
Melting Point
Formula C₈H₆F₃NO₂
Boiling Point 206.6 °C at 760 mmHg
Molecular Weight 205.136
Flash Point 78.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Nitro-4-(trifluoromethyl)toluene;
PSA 45.82000
LogP 3.44520

4-Methyl-3-nitrobenzotrifluoride Specification

The 4-Methyl-3-nitrobenzotrifluoride, with the CAS registry number of 65754-26-9, is also known as 2-Nitro-4-(trifluoromethyl)toluene. Its molecular formula is C₈H₆F₃NO₂ and molecular weight is 205.13. What's more, its systematic name is 1-Methyl-2-nitro-4-(trifluoromethyl)benzene.

Physical properties about the 4-Methyl-3-nitrobenzotrifluoride are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.09; (6)ACD/BCF (pH 7.4): 129.09; (7)ACD/KOC (pH 5.5): 1128.7; (8)ACD/KOC (pH 7.4): 1128.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 42.6 cm³; (15)Molar Volume: 151 cm³; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 1.357 g/cm³; (18)Flash Point: 78.8 °C; (19)Enthalpy of Vaporization: 42.48 kJ/mol; (20)Boiling Point: 206.6 °C at 760 mmHg; (21)Vapour Pressure: 0.338 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(ccc1C)C(F)(F)F
(2) InChI: InChI=1/C8H6F3NO2/c1-5-2-3-6(8(9,10)11)4-7(5)12(13)14/h2-4H,1H3
(3) InChIKey: VFERJFHPHSUIHY-UHFFFAOYAM

Product Name

4-Methyl-3-nitrobenzotrifluoride

4-Methyl-3-nitrobenzotrifluoride Specification

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