3-(Trifluoromethoxy)nitrobenzene supplier

Name
3-(Trifluoromethoxy)nitrobenzene
EINECS
CAS No. 2995-45-1
Article Data6
CAS DataBase
Density 1.461 g/cm³
Solubility
Melting Point
Formula C₇H₄F₃NO₃
Boiling Point 209.4 °C at 760 mmHg
Molecular Weight 207.109
Flash Point 80.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Anisole, a,a,a-trifluoro-m-nitro- (6CI,7CI,8CI);3-(Trifluoromethoxy)nitrobenzene;1-nitro-3-(trifluoromethoxy)benzene;3-Nitrophenyl trifluoromethyl ether;
PSA 55.05000
LogP 3.01660

3-(Trifluoromethoxy)nitrobenzene Specification

The Benzene,1-nitro-3-(trifluoromethoxy)-, with the CAS registry number 2995-45-1, is also known as 3-(Trifluoromethoxy)nitrobenzene. This chemical's molecular formula is C₇H₄F₃NO₃ and formula weight is 207.11. What's more, its IUPAC name is 1-nitro-3-(trifluoromethoxy)benzene.

Physical properties of Benzene,1-nitro-3-(trifluoromethoxy)- are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/BCF (pH 5.5): 160.08; (5)ACD/KOC (pH 5.5): 1316.65; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 55.05 Å²; (10)Index of Refraction: 1.475; (11)Molar Refractivity: 39.93 cm³; (12)Molar Volume: 141.6 cm³; (13)Surface Tension: 34.3 dyne/cm; (14)Density: 1.461 g/cm³; (15)Flash Point: 80.5 °C; (16)Enthalpy of Vaporization: 42.75 kJ/mol; (17)Boiling Point: 209.4 °C at 760 mmHg; (18)Vapour Pressure: 0.293 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1cccc(c1)[N+]([O-])=O
(2)InChI: InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H
(3)InChIKey: QBWJNDOQIAARBT-UHFFFAOYSA-N

Product Name

3-(Trifluoromethoxy)nitrobenzene

3-(Trifluoromethoxy)nitrobenzene Specification

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