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CAS No.: | 28202-30-4 |
---|---|
Name: | 2-TETRAFLUOROETHOXY-5-NITROTOLUENE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H7F4NO3 |
Molecular Weight: | 253.153 |
Synonyms: | Phenetole, a,a,b,b-tetrafluoro-2-methyl-4-nitro-(8CI);2-(1,1,2,2-Tetrafluoroethoxy)-5-nitrotoluene95%;2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene;2-Tetrafluoroethoxy-5-nitrotoluene; |
EINECS: | 248-896-4 |
Density: | 1.404 g/cm3 |
Boiling Point: | 282.7 °C at 760 mmHg |
Flash Point: | 124.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 55.05000 |
LogP: | 3.66310 |
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The CAS register number of Benzene,2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)- is 28202-30-4. It also can be called as 2-Tetrafluoroethoxy-5-nitrotoluene and the IUPAC name about this chemical is 2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene. The molecular formula about this chemical is C9H7F4NO3 and the molecular weight is 253.15.
Physical properties about Benzene,2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)- are: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.75; (3)ACD/LogD (pH 7.4): 3.75; (4)ACD/BCF (pH 5.5): 418.81; (5)ACD/BCF (pH 7.4): 418.81; (6)ACD/KOC (pH 5.5): 2620.87; (7)ACD/KOC (pH 7.4): 2620.87; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.05 Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 49.51 cm3; (13)Molar Volume: 180.2 cm3; (14)Polarizability: 19.62x10-24cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 124.8 °C; (18)Enthalpy of Vaporization: 50.07 kJ/mol; (19)Boiling Point: 282.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00563 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. So, if you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(Oc1ccc(cc1C)[N+]([O-])=O)C(F)F
(2)InChI: InChI=1/C9H7F4NO3/c1-5-4-6(14(15)16)2-3-7(5)17-9(12,13)8(10)11/h2-4,8H,1H3
(3)InChIKey: JHPMFMSCHNLTQM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H7F4NO3/c1-5-4-6(14(15)16)2-3-7(5)17-9(12,13)8(10)11/h2-4,8H,1H3
(5)Std. InChIKey: JHPMFMSCHNLTQM-UHFFFAOYSA-N