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CAS No.: | 15513-48-1 |
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Name: | 4-Chloro-2,6-dimethyl-3-nitropyridine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H7ClN2O2 |
Molecular Weight: | 186.598 |
Synonyms: | 2,6-Lutidine,4-chloro-3-nitro- (7CI,8CI);4-Chloro-2,6-dimethyl-3-nitropyridine;4-Chloro-3-nitro-2,6-lutidine; |
EINECS: | -0 |
Density: | 1.342 g/cm3 |
Melting Point: | 70-73℃ |
Boiling Point: | 270.291 °C at 760 mmHg |
Flash Point: | 117.268 °C |
PSA: | 58.71000 |
LogP: | 2.78320 |
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The 4-Chloro-2,6-dimethyl-3-nitropyridine with the CAS number 15513-48-1 is also called Pyridine,4-chloro-2,6-dimethyl-3-nitro-. Its molecular formula is C7H7ClN2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4-Chloro-2,6-dimethyl-3-nitropyridine are: (1)ACD/LogP: 1.86; (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): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 206; (8)ACD/KOC (pH 7.4): 206; (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: 1.567; (14)Molar Refractivity: 45.435 cm3; (15)Molar Volume: 139 cm3; (16)Polarizability: 18.012×10-24cm3; (17)Surface Tension: 49.162 dyne/cm; (18)Enthalpy of Vaporization: 48.799 kJ/mol; (19)Vapour Pressure: 0.011 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1c(Cl)cc(C)nc1C
(2)InChI: InChI=1/C7H7ClN2O2/c1-4-3-6(8)7(10(11)12)5(2)9-4/h3H,1-2H3
(3)InChIKey: PSBGFLWVQDGETK-UHFFFAOYAA