Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(6-Chloro-3-pyridazinyl)-1H-indole |
EINECS | 604-604-1 |
CAS No. | 129287-26-9 | Density | 1.387 g/cm3 |
PSA | 41.57000 | LogP | 3.27830 |
Solubility | N/A | Melting Point |
270-272 °C |
Formula | C12H8ClN3 | Boiling Point | 518.4 °C at 760 mmHg |
Molecular Weight | 229.669 | Flash Point | 298.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
3-(6-chloropyridazin-3-yl)-1H-indole; |
Article Data | 2 |
The 1H-Indole,3-(6-chloro-3-pyridazinyl)-, with the CAS registry number 129287-26-9, is also known as 3-(6-Chloro-3-pyridazinyl)-1H-indole. It belongs to the product category of API Intermediates. This chemical's molecular formula is C12H8ClN3 and molecular weight is 229.66502. Its IUPAC name is called 3-(6-chloropyridazin-3-yl)-1H-indole.
Physical properties of 1H-Indole,3-(6-chloro-3-pyridazinyl)-: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.74; (5)ACD/BCF (pH 7.4): 12.74; (6)ACD/KOC (pH 5.5): 215.09; (7)ACD/KOC (pH 7.4): 215.09; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 64.19 cm3; (13)Molar Volume: 165.5 cm3; (14)Surface Tension: 63.9 dyne/cm; (15)Density: 1.387 g/cm3; (16)Flash Point: 298.4 °C; (17)Enthalpy of Vaporization: 76.11 kJ/mol; (18)Boiling Point: 518.4 °C at 760 mmHg; (19)Vapour Pressure: 2.47E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=NN=C(C=C3)Cl
(2)InChI: InChI=1S/C12H8ClN3/c13-12-6-5-11(15-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
(3)InChIKey: CLXGESVVZOJONY-UHFFFAOYSA-N