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2,6-Dichloro-3-methyl-5-nitropyridine

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Name

2,6-Dichloro-3-methyl-5-nitropyridine

EINECS N/A
CAS No. 58596-88-6 Density 1.537 g/cm3
PSA 58.71000 LogP 3.12820
Solubility N/A Melting Point 70-71 °C(Solv: cyclohexane (110-82-7))
Formula C6H4Cl2N2O2 Boiling Point 323.536 °C at 760 mmHg
Molecular Weight 207.01 Flash Point 149.47 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58596-88-6 (2,6-Dichloro-3-methyl-5-nitropyridine) Hazard Symbols N/A
Synonyms

2,6-dichloro-3-methyl-5-nitropyridine

Article Data 7

2,6-Dichloro-3-methyl-5-nitropyridine Specification

The CAS number of the 2,6-Dichloro-3-methyl-5-nitropyridine is 58596-88-6. Its molecular formula is C6H4Cl2N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 388; (8)ACD/KOC (pH 7.4): 388; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 45.505 cm3; (15)Molar Volume: 134.675 cm3; (16)Polarizability: 18.039×10-24cm3; (17)Surface Tension: 54.719 dyne/cm; (18)Enthalpy of Vaporization: 54.3 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(N(=O)=O)c(Cl)nc1Cl
(2)InChI: InChI=1/C6H4Cl2N2O2/c1-3-2-4(10(11)12)6(8)9-5(3)7/h2H,1H3
(3)InChIKey: XLKDPPLSOTVMFR-UHFFFAOYAZ

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