CAS No.394-25-2,4-METHOXY-3-NITROBENZOTRIFLUORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	394-25-2
Name:	4-METHOXY-3-NITROBENZOTRIFLUORIDE
Article Data:	11

Formula:	C₈H₆F₃NO₃
Molecular Weight:	221.136
Synonyms:	Anisole,2-nitro-4-(trifluoromethyl)- (7CI,8CI);2-Nitro-4-(trifluoromethyl)anisole;NSC 88325;
EINECS:	206-891-4
Density:	1.393 g/cm³
Melting Point:	47-49 °C(lit.)
Boiling Point:	251.8 °C at 760 mmHg
Flash Point:	106.1 °C
Appearance:	yellow crystalline powder
Hazard Symbols:	Xi, C
Risk Codes:	34
Safety:	22-26-36/37/39-45-27
Transport Information:	UN 3261 8/PG 2
PSA:	55.05000
LogP:	3.14540

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Specification

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