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3-Bromo-6-chloro-2-methyl-5-nitropyridine

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Name

3-Bromo-6-chloro-2-methyl-5-nitropyridine

EINECS N/A
CAS No. 186413-75-2 Density 1.81 g/cm3
PSA 58.71000 LogP 3.23730
Solubility N/A Melting Point N/A
Formula C6H4BrClN2O2 Boiling Point 306.311 °C at 760 mmHg
Molecular Weight 251.467 Flash Point 139.052 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 20/22
Molecular Structure Molecular Structure of 186413-75-2 (2-Chloro-3-Nitro-5-Bromo-6-Picoline) Hazard Symbols N/A
Synonyms

3-Bromo-6-chloro-2-methyl-5-nitropyridine;

Article Data 1

3-Bromo-6-chloro-2-methyl-5-nitropyridine Specification

The 3-Bromo-6-chloro-2-methyl-5-nitropyridine, with the CAS registry number 186413-75-2, is also known as 2-Chloro-3-nitro-5-bromo-6-picoline. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H4BrClN2O2 and molecular weight is 251.46. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-6-chloro-2-methyl-5-nitropyridine.

Physical properties about 3-Bromo-6-chloro-2-methyl-5-nitropyridine are: (1) ACD/LogP: 2.47; (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): 30; (6) ACD/BCF (pH 7.4): 30; (7) ACD/KOC (pH 5.5): 402; (8) ACD/KOC (pH 7.4): 402; (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: 1.612; (14) Molar Refractivity: 48.3 cm3; (15) Molar Volume: 138.909 cm3; (16) Surface Tension: 56.543 dyne/cm; (17) Density: 1.81 g/cm3; (18) Flash Point: 139.052 °C; (19) Enthalpy of Vaporization: 52.499 kJ/mol; (20) Boiling Point: 306.311 °C at 760 mmHg; (21) Vapour Pressure: 0.001 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(Br)c(nc1Cl)C
(2) InChI: InChI=1/C6H4BrClN2O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3
(3) InChIKey: PVECCSKVOZZRPC-UHFFFAOYAK

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