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6216-91-7

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Basic Information
CAS No.: 6216-91-7
Name: 2-CHLORO-4-NITRO-N,N-DIPROPYLANILINE
Molecular Structure:
Molecular Structure of 6216-91-7 (2-CHLORO-4-NITRO-N,N-DIPROPYLANILINE)
Formula: C12H17ClN2O2
Molecular Weight: 256.732
Synonyms: Aniline,2-chloro-4-nitro-N,N-dipropyl- (7CI,8CI);2-Chloro-4-nitro-N,N-dipropylaniline;4-Nitro-2-chloro-N,N-di-n-propyl aniline;
Density: 1.181 g/cm3
Boiling Point: 355.7 °C at 760 mmHg
Flash Point: 168.9 °C
PSA: 49.06000
LogP: 4.39780
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Specification

The Benzenamine,2-chloro-4-nitro-N,N-dipropyl-, with the CAS registry number 6216-91-7, is also known as 4-Nitro-2-chloro-N,N-di-n-propyl aniline. This chemical's molecular formula is C12H17ClN2O2 and molecular weight is 256.73. What's more, its systematic name is 2-chloro-4-nitro-N,N-dipropylaniline.

Physical properties of Benzenamine,2-chloro-4-nitro-N,N-dipropyl- are: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.78; (4)ACD/LogD (pH 7.4): 5.78; (5)ACD/BCF (pH 5.5): 14605; (6)ACD/BCF (pH 7.4): 14605.18; (7)ACD/KOC (pH 5.5): 33307.09; (8)ACD/KOC (pH 7.4): 33307.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 70.53 cm3; (15)Molar Volume: 217.2 cm3; (16)Polarizability: 27.96×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 60.09 kJ/mol; (21)Boiling Point: 355.7 °C at 760 mmHg; (22)Vapour Pressure: 3.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCN(CCC)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
(2)InChI: InChI=1S/C12H17ClN2O2/c1-3-7-14(8-4-2)12-6-5-10(15(16)17)9-11(12)13/h5-6,9H,3-4,7-8H2,1-2H3
(3)InChIKey: OYJJPFCGGNTTTO-UHFFFAOYSA-N