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CAS No.: | 167415-22-7 |
---|---|
Name: | 5-AMINO-2-CHLORO-4-NITROBENZOTRIFLUORIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H4ClF3N2O2 |
Molecular Weight: | 240.569 |
Synonyms: | 3-Amino-6-chloro-4-nitrobenzotrifluoride;4-Chloro-2-nitro-5-(trifluoromethyl)aniline; |
Density: | 1.614 g/cm3 |
Melting Point: | 123-125 °C |
Boiling Point: | 322.6 °C at 760 mmHg |
Flash Point: | 148.9 °C |
PSA: | 71.84000 |
LogP: | 3.95360 |
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The Benzenamine,4-chloro-2-nitro-5-(trifluoromethyl)- is an organic compound with the formula C7H4ClF3N2O2. The systematic name of this chemical is 4-Chloro-2-nitro-5-(trifluoromethyl)aniline. With the CAS registry number 167415-22-7, it is also named as 5-Amino-2-chloro-4-nitrobenzotrifluoride. Besides, its molecular weight is 240.5671.
Physical properties about Benzenamine,4-chloro-2-nitro-5-(trifluoromethyl)- are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1228.19; (5)ACD/BCF (pH 7.4): 1228.19; (6)ACD/KOC (pH 5.5): 5661.02; (7)ACD/KOC (pH 7.4): 5661.02; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 46.9 cm3; (14)Molar Volume: 149 cm3; (15)Polarizability: 18.59×10-24 cm3; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.614 g/cm3; (18)Flash Point: 148.9 °C; (19)Enthalpy of Vaporization: 56.45 kJ/mol; (20)Boiling Point: 322.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000276 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4ClF3N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2
(2)InChIKey: HLEWKRQSGSZHGO-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C7H4ClF3N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2
(4)Std. InChIKey: HLEWKRQSGSZHGO-UHFFFAOYSA-N