Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Methoxy-3-nitrobenzotrifluoride |
EINECS | 206-891-4 |
CAS No. | 394-25-2 | Density | 1.393 g/cm3 |
PSA | 55.05000 | LogP | 3.14540 |
Solubility | N/A | Melting Point |
47-49 °C(lit.) |
Formula | C8H6F3NO3 | Boiling Point | 251.8 °C at 760 mmHg |
Molecular Weight | 221.136 | Flash Point | 106.1 °C |
Transport Information | UN 3261 8/PG 2 | Appearance | yellow crystalline powder |
Safety | 22-26-36/37/39-45-27 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi, C | |
Synonyms |
Anisole,2-nitro-4-(trifluoromethyl)- (7CI,8CI);2-Nitro-4-(trifluoromethyl)anisole;NSC 88325; |
Article Data | 11 |
The Benzene,1-methoxy-2-nitro-4-(trifluoromethyl)-, with CAS registry number 394-25-2, belongs to the following product categories: (1)Miscellaneous; (2)Trifluoromethyl-benzene series. It has the systematic name of 1-methoxy-2-nitro-4-(trifluoromethyl)benzene. This chemical is a kind of yellow crystalline powder. And the chemical formula of this chemical is C8H6F3NO3. What's more, its EINECS is 206-891-4.
Physical properties of Benzene,1-methoxy-2-nitro-4-(trifluoromethyl)-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 132.21; (6)ACD/BCF (pH 7.4): 132.21; (7)ACD/KOC (pH 5.5): 1148.2; (8)ACD/KOC (pH 7.4): 1148.2; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 44.45 cm3; (15)Molar Volume: 158.7 cm3; (16)Polarizability: 17.62×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 106.1 °C; (20)Enthalpy of Vaporization: 46.93 kJ/mol; (21)Boiling Point: 251.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0319 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-methoxy-2-nitro-4-(trifluoromethyl)- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(OC)c([N+]([O-])=O)c1
(2)InChI: InChI=1/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
(3)InChIKey: MAAFHLOZHBKYTG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
(5)Std. InChIKey: MAAFHLOZHBKYTG-UHFFFAOYSA-N