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30377-62-9

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Basic Information
CAS No.: 30377-62-9
Name: N-ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)ANILINE
Molecular Structure:
Molecular Structure of 30377-62-9 (N-ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)ANILINE)
Formula: C9H9F3N2O2
Molecular Weight: 234.178
Synonyms: p-Toluidine,N-ethyl-a,a,a-trifluoro-2-nitro- (8CI);N-Ethyl-2-nitro-4-trifluoromethylaniline;N-Ethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]amine;
EINECS: 250-160-2
Density: 1.371 g/cm3
Melting Point: 59.5 °C(Solv: ethanol (64-17-5))
Boiling Point: 278.6 °C at 760 mmHg
Flash Point: 122.3 °C
Hazard Symbols: Xi
PSA: 57.85000
LogP: 3.64160
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Specification

The Benzenamine,N-ethyl-2-nitro-4-(trifluoromethyl)-, with the CAS registry number 30377-62-9, is also known as N-Ethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]amine. It belongs to the product categories of Amines; Blocks; Fluoro Compounds; Nitro Compounds. Its EINECS number is 250-160-2. This chemical's molecular formula is C9H9F3N2O2 and molecular weight is 234.18. What's more, its systematic name is N-ethyl-2-nitro-4-(trifluoromethyl)aniline.

Physical properties of Benzenamine,N-ethyl-2-nitro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 473.73; (6)ACD/BCF (pH 7.4): 473.73; (7)ACD/KOC (pH 5.5): 2862.52; (8)ACD/KOC (pH 7.4): 2862.52; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 52.02 cm3; (15)Molar Volume: 170.7 cm3; (16)Polarizability: 20.62×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 51.72 kJ/mol; (21)Boiling Point: 278.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00422 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(NCC)c(c1)[N+]([O-])=O
(2)InChI: InChI=1S/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3
(3)InChIKey: XGYBRXYMSSZKPY-UHFFFAOYSA-N