Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene |
EINECS | N/A |
CAS No. | 106310-21-8 | Density | 1.396 g/cm3 |
PSA | 80.35000 | LogP | 5.61730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H12F3NO3S | Boiling Point | 393.551 °C at 760 mmHg |
Molecular Weight | 329.3 | Flash Point | 191.813 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-Trifluoromethylthiophenoxy)-5-nitrotoluene;3-methyl-4- (4-Trifluoromethylthiobenzoxy)-Nitrobenzene; |
Article Data | 9 |
The 2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene with cas registry number of 106310-21-8, is also called 2-(4-Trifluoromethylthiophenoxy)-5-nitrotoluene; 3-methyl-4- (4-Trifluoromethylthiobenzoxy)-Nitrobenzene.
Physical properties of 2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.354; (4)ACD/LogD (pH 7.4): 5.354; (5)ACD/BCF (pH 5.5): 6907.485; (6)ACD/BCF (pH 7.4): 6907.485; (7)ACD/KOC (pH 5.5): 19488.406; (8)ACD/KOC (pH 7.4): 19488.406; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 80.35 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 81.494 cm3; (15)Molar Volume: 245.927 cm3; (16)Polarizability: 32.307×10-24cm3; (17)Surface Tension: 48.078 dyne/cm; (18)Enthalpy of Vaporization: 61.833 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:Cc1cc(ccc1OCc2ccc(cc2)SC(F)(F)F)[N+](=O)[O-]; (2)InChI:InChI=1/C15H12F3NO3S/c1-10-8-12(19(20)21)4-7-14(10)22-9-11-2-5-13(6-3-11)23-15(16,17)18/h2-8H,9H2,1H3; (3)InChIKey:MIMYVGGBHGPHLT-UHFFFAOYAG; (4)Std. InChI:InChI=1S/C15H12F3NO3S/c1-10-8-12(19(20)21)4-7-14(10)22-9-11-2-5-13(6-3-11)23-15(16,17)18/h2-8H,9H2,1H3; (5)Std. InChIKey:MIMYVGGBHGPHLT-UHFFFAOYSA-N.