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CAS No.: | 5096-76-4 |
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Name: | 3-Chloro-6-pyrrol-1-yl-pyridazine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H6ClN3 |
Molecular Weight: | 179.609 |
Synonyms: | 3-Chloro-6-(1H-pyrrol-1-yl)pyridazine; |
Density: | 1.34 g/cm3 |
Boiling Point: | 357.6 °C at 760 mmHg |
Flash Point: | 170.1 °C |
Hazard Symbols: | Xi |
PSA: | 30.71000 |
LogP: | 1.92070 |
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The 3-Chloro-6-pyrrol-1-yl-pyridazine, with the CAS registry number 5096-76-4, is also known as 3-Chloro-6-(1H-pyrrol-1-yl)pyridazine. It belongs to the product categories of Blocks; Imidazoles; Pyridines. This chemical's molecular formula is C8H6ClN3 and molecular weight is 179.61. What's more, its IUPAC name is 3-Chloro-6-pyrrol-1-ylpyridazine. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from light.
Physical properties about 3-Chloro-6-pyrrol-1-yl-pyridazine are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 30.71 Å2; (9)Index of Refraction: 1.653; (10)Molar Refractivity: 48.97 cm3; (11)Molar Volume: 133.7 cm3; (12)Polarizability: 19.41×10-24 cm3; (13)Surface Tension: 50.2 dyne/cm; (14)Density: 1.34 g/cm3; (15)Flash Point: 170.1 °C; (16)Enthalpy of Vaporization: 57.93 kJ/mol; (17)Boiling Point: 357.6 °C at 760 mmHg; (18)Vapour Pressure: 5.55E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccn(c1)c2ccc(nn2)Cl
(2) InChI: InChI=1/C8H6ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h1-6H
(3) InChIKey: LQIVORYEWIDSDK-UHFFFAOYAI