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Basic Information
CAS No.: 175277-90-4
Name: 4-ISOPROPYLAMINO-3-NITROBENZOTRIFLUORIDE
Molecular Structure:
Molecular Structure of 175277-90-4 (4-ISOPROPYLAMINO-3-NITROBENZOTRIFLUORIDE)
Formula: C10H11F3N2O2
Molecular Weight: 248.205
Synonyms: 3-Nitro-4-isopropylaminobenzotrifluoride;4-Isopropylamino-3-nitrobenzotrifluoride;
Density: 1.322g/cm3
Melting Point: 103 °C
Boiling Point: 288.5°C at 760 mmHg
Flash Point: 128.3°C
Hazard Symbols:
Risk Codes: 36/37/38
Safety: 26-36
PSA: 57.85000
LogP: 4.03010
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Specification

The Benzenamine,N-(1-methylethyl)-2-nitro-4-(trifluoromethyl)- with the CAS registry number 175277-90-4, is also known as (methylethyl)[2-nitro-4-(trifluoromethyl)phenyl]amine. This chemical's molecular formula is C10H11F3N2O2 and molecular weight is 248.2. What's more, its systematic name is N-(1-methylethyl)-2-nitro-4-(trifluoromethyl)aniline.

Physical properties about Benzenamine,N-(1-methylethyl)-2-nitro-4-(trifluoromethyl)- are: (1)ACD/LogP: 4.17; (2)ACD/LogD (pH 5.5): 4.17; (3)ACD/LogD (pH 7.4): 4.17; (4)ACD/BCF (pH 5.5): 870.06; (5)ACD/BCF (pH 7.4): 870.06; (6)ACD/KOC (pH 5.5): 4423.13; (7)ACD/KOC (pH 7.4): 4423.13; (8)H bond acceptors: 4; (9)H bond donors: 1; (10)Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.06 Å2; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 56.61 cm3; (14)Molar Volume: 187.6 cm3; (15)Polarizability: 22.44 ×10-24 cm3; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 1.322 g/cm3; (18)Flash Point: 128.3 °C; (19)Enthalpy of Vaporization: 52.78 kJ/mol; (20)Boiling Point: 288.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00233 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)c1ccc(NC(C)C)c(c1)[N+]([O-])=OCopyCopied;
(2)InChI:InChI=1/C10H11F3N2O2/c1-6(2)14-8-4-3-7(10(11,12)13)5-9(8)15(16)17/h3-6,14H,1-2H3 CopyCopied;
(3)InChIKey:KUROZHKSHLAXMC-UHFFFAOYAH.