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3-Iodo-7-azaindole

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Name

3-Iodo-7-azaindole

EINECS N/A
CAS No. 23616-57-1 Density 2.082 g/cm3
PSA 28.68000 LogP 2.16750
Solubility N/A Melting Point 190-194 °C
Formula C7H5IN2 Boiling Point 360.7 °C at 760 mmHg
Molecular Weight 244.035 Flash Point 171.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-41-22
Molecular Structure Molecular Structure of 23616-57-1 (3-Iodo-7-azaindole) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

3-Iodo-1H-pyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine,3-iodo-;

 

3-Iodo-7-azaindole Specification

The 3-Iodo-7-azaindole, with the CAS registry number 23616-57-1, is also known as 1H-pyrrolo[2,3-b]pyridine, 3-iodo-. It belongs to the product categories of Aminomethyl's; Morpholines & Thiomorpholines; Intermediate of mosapride citrate; Morpholines & Thiomorpholines. This chemical's molecular formula is C7H5IN2 and molecular weight is 244.03. What's more, its systematic name is 3-iodo-1H-pyrrolo[2,3-b]pyridine.

Physical properties of 3-Iodo-7-azaindole are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 80.52; (6)ACD/BCF (pH 7.4): 82.41; (7)ACD/KOC (pH 5.5): 799.72; (8)ACD/KOC (pH 7.4): 818.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.787; (14)Molar Refractivity: 49.52 cm3; (15)Molar Volume: 117.1 cm3; (16)Surface Tension: 71.2 dyne/cm; (17)Density: 2.082 g/cm3; (18)Flash Point: 171.9 °C; (19)Enthalpy of Vaporization: 58.26 kJ/mol; (20)Boiling Point: 360.7 °C at 760 mmHg; (21)Vapour Pressure: 4.53E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful if swallowed. It has the risk of serious damage to eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic2c1cccnc1nc2
(2)InChI: InChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
(3)InChIKey: BTIANIFSBYIGPA-UHFFFAOYSA-N

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