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Name |
Pyridazine,3-chloro-6-(1,1-dimethylethyl)- |
EINECS | N/A |
CAS No. | 41144-46-1 | Density | 1.104 g/cm3 |
PSA | 25.78000 | LogP | 2.42750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11ClN2 | Boiling Point | 270 °C at 760 mmHg |
Molecular Weight | 170.642 | Flash Point | 143.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-6-(1,1-dimethylethyl)pyridazine;3-tert-Butyl-6-chloropyridazine; |
Article Data | 3 |
The Pyridazine,3-chloro-6-(1,1-dimethylethyl)-, with the CAS registry number 41144-46-1, is also known as 3-Chloro-6-(1,1-dimethylethyl)pyridazine. This chemical's molecular formula is C8H11ClN2 and molecular weight is 170.64. What's more, its systematic name is 3-tert-butyl-6-chloropyridazine.
Physical properties of Pyridazine,3-chloro-6-(1,1-dimethylethyl)- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.46; (6)ACD/BCF (pH 7.4): 13.46; (7)ACD/KOC (pH 5.5): 223.79; (8)ACD/KOC (pH 7.4): 223.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 45.71 cm3; (15)Molar Volume: 154.5 cm3; (16)Polarizability: 18.12×10-24cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 143.1 °C; (20)Enthalpy of Vaporization: 48.77 kJ/mol; (21)Boiling Point: 270 °C at 760 mmHg; (22)Vapour Pressure: 0.0116 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(nn1)C(C)(C)C
(2)Std. InChI: InChI=1S/C8H11ClN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3
(3)Std. InChIKey: BMEMBHNMSYYDTO-UHFFFAOYSA-N