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| CAS No.: | 914637-23-3 |
|---|---|
| Name: | 5-CHLORO-2-NITRO-4-TRIFLUOROMETHOXY-PHENYLAMINE |
| Molecular Structure: | |
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| Formula: | C7H4ClF3N2O3 |
| Molecular Weight: | 256.569 |
| Synonyms: | 2-AMINO-4-CHLORO-5-TRIFLUOROMETHOXY-NITROBENZENE;5-CHLORO-2-NITRO-4-(TRIFLUOROMETHOXY)ANILINE;5-CHLORO-2-NITRO-4-TRIFLUOROMETHOXY-PHENYLAMINE;3-CHLORO-6-NITRO-4-(TRIFLUOROMETHOXY)-ANILINE;4-Amino-2-chloro-5-nitro-alpha,alpha,alpha-trifluoroanisole, 2-Amino-4-chloro-5-(trifluoromethoxy)nitrobenzene |
| Density: | 1.645 g/cm3 |
| Boiling Point: | 318.1 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| Appearance: | yellow crystal powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 81.07000 |
| LogP: | 3.83340 |
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- Total:27 Page 1 of 1 1
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Specification
The 5-Chloro-2-nitro-4-trifluoromethoxyaniline, with CAS registry number 914637-23-3, has the systematic name of 5-chloro-2-nitro-4-(trifluoromethoxy)aniline. Besides this, it is also called Benzenamine, 5-chloro-2-nitro-4-(trifluoromethoxy)-. This chemical is a kind of yellow crystal powder. And the chemical formula of this chemical is C7H4ClF3N2O3.
Physical properties of 5-Chloro-2-nitro-4-trifluoromethoxyaniline: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 81.07 Å2; (9)Index of Refraction: 1.542; (10)Molar Refractivity: 49.06 cm3; (11)Molar Volume: 155.8 cm3; (12)Polarizability: 19.45×10-24cm3; (13)Surface Tension: 45.4 dyne/cm; (14)Density: 1.645 g/cm3; (15)Flash Point: 146.2 °C; (16)Enthalpy of Vaporization: 55.95 kJ/mol; (17)Boiling Point: 318.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000369 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-2-nitro-4-trifluoromethoxyaniline 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.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(N)c(cc1OC(F)(F)F)[N+]([O-])=O
(2)InChI: InChI=1/C7H4ClF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2
(3)InChIKey: NFVAJIPVDHPZKP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H4ClF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2
(5)Std. InChIKey: NFVAJIPVDHPZKP-UHFFFAOYSA-N