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| CAS No.: | 23616-57-1 |
|---|---|
| Name: | 3-Iodo-7-azaindole |
| Molecular Structure: | |
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|
|
| Formula: | C7H5IN2 |
| Molecular Weight: | 244.035 |
| Synonyms: | 3-Iodo-1H-pyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine,3-iodo-; |
| Density: | 2.082 g/cm3 |
| Melting Point: | 190-194 °C |
| Boiling Point: | 360.7 °C at 760 mmHg |
| Flash Point: | 171.9 °C |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-41-22 |
| Safety: | 26-36/37/39 |
| PSA: | 28.68000 |
| LogP: | 2.16750 |
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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