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CAS No.: | 74976-31-1 |
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Name: | 6-Chloro-5-Azaindole |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H5ClN2 |
Molecular Weight: | 152.583 |
Synonyms: | 6-chloro-1H-pyrrolo[3,2-c]pyridine |
Density: | 1.425 g/cm3 |
Melting Point: | 193-194 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 335.8 °C at 760 mmHg |
Flash Point: | 187.2 °C |
PSA: | 28.68000 |
LogP: | 2.21630 |
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The 6-Chloro-5-Azaindole is an organic compound with the formula C7H5ClN2. The IUPAC name of this chemical is 6-chloro-1H-pyrrolo[3,2-c]pyridine. With the CAS registry number 74976-31-1, it is also named as 1H-pyrrolo[3,2-c]pyridine, 6-chloro-.
Physical properties about 6-Chloro-5-Azaindole are: (1)ACD/LogP: 1.32 ; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 1.34; (5)ACD/BCF (pH 7.4): 5.7; (6)ACD/KOC (pH 5.5): 28.06; (7)ACD/KOC (pH 7.4): 119.46; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å2; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 41.51 cm3; (13)Molar Volume: 107 cm3; (14)Polarizability: 16.45×10-24cm3; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.425 g/cm3; (17)Flash Point: 187.2 °C; (18)Enthalpy of Vaporization: 55.59 kJ/mol; (19)Boiling Point: 335.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000228 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine. This reaction will need reagent dichlorodicyanoquinone and solvent toluene. The reaction time is 6 hours by heating. The yield is about 93%.
Uses of 6-Chloro-5-Azaindole: it can be used to produce 3-dimethylaminomethyl-6-chloro-5-azaindole dihydrochloride monohydrate by heating. It will need reagent dioxane with reaction time of 13 hours. The yield is about 67%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2nccc2cn1
(2)InChI: InChI=1/C7H5ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H
(3)InChIKey: CBHXTZKXDLDMJZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H5ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H
(5)Std. InChIKey: CBHXTZKXDLDMJZ-UHFFFAOYSA-N