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CAS No.: | 1021339-19-4 |
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Name: | 6-Chloro-1H-pyrrolo[3,2-b]pyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H5ClN2 |
Molecular Weight: | 152.583 |
Synonyms: | 1H-pyrrolo[3,2-b]pyridine, 6-chloro-; |
EINECS: | 200-589-5 |
Density: | 1.425 g/cm3 |
Boiling Point: | 290.5 °C at 760 mmHg |
Flash Point: | 157.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 28.68000 |
LogP: | 2.21630 |
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The CAS registry number of 6-Chloro-1H-pyrrolo[3,2-b]pyridine is 1021339-19-4. This chemical is also named as 1H-Pyrrolo[3,2-b]pyridine, 6-chloro-. Its molecular formula is C7H5ClN2 and molecular weight is 152.581. Its systematic name is called 6-chloro-1H-pyrrolo[3,2-b]pyridine. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 6-Chloro-1H-pyrrolo[3,2-b]pyridine are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.68; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.703; (9)Molar Refractivity: 41.51 cm3; (10)Molar Volume: 107 cm3; (11)Surface Tension: 62.2 dyne/cm; (12)Density: 1.425 g/cm3; (13)Flash Point: 157.1 °C; (14)Enthalpy of Vaporization: 50.86 kJ/mol; (15)Boiling Point: 290.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0036 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2nccc2nc1
(2)InChI: InChI=1/C7H5ClN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
(3)InChIKey: UWROBKHIEKWFAJ-UHFFFAOYAC