CAS No.328-79-0,3-Methoxy-5-nitrobenzotrifluoride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	328-79-0
Name:	3-Methoxy-5-nitrobenzotrifluoride
Article Data:	6

Formula:	C₈H₆F₃NO₃
Molecular Weight:	221.136
Synonyms:	Anisole,3-nitro-5-(trifluoromethyl)- (7CI,8CI);1-Methoxy-3-nitro-5-trifluoromethylbenzene;3-Methoxy-5-(trifluoromethyl)-1-nitrobenzene;3-Methoxy-5-nitrobenzotrifluoride;3-Nitro-5-(trifluoromethyl)phenyl methylether;
Density:	1.392g/cm³
Melting Point:	36-38 °C(lit.)
Boiling Point:	246.9 °C at 760 mmHg
Flash Point:	103.1 °C
Hazard Symbols:	CXi
Risk Codes:	34-36/38-21/22
Safety:	26-27-28-36/37/39-45
Transport Information:	UN 1759
PSA:	55.05000
LogP:	3.14540

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Specification

The 3-Methoxy-5-nitrobenzotrifluoride, with cas registry number 328-79-0, belongs to the following product categories: (1)Nitro Compounds; (2)Nitrogen Compounds; (3)Organic Building Blocks. It has the systematic name of 1-methoxy-3-nitro-5-(trifluoromethyl)benzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 199.58; (6)ACD/BCF (pH 7.4): 199.58; (7)ACD/KOC (pH 5.5): 1541.79; (8)ACD/KOC (pH 7.4): 1541.79; (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)Enthalpy of Vaporization: 46.44 kJ/mol; (19)Vapour Pressure: 0.0416 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Firstly,the 3-Methoxy-5-nitrobenzotrifluoride irritates to eyes, respiratory system and skin. 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.
Secondly, this chemical may cause burns and it is harmful in contact with skin and if swallowed. After contact with skin, wash immediately with plenty of soap-suds. After use 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)c1cc(OC)cc([N+]([O-])=O)c1
(2)InChI: InChI=1/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3
(3)InChIKey: NCPVPJVRLLHBEL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3
(5)Std. InChIKey: NCPVPJVRLLHBEL-UHFFFAOYSA-N