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| CAS No.: | 89976-15-8 |
|---|---|
| Name: | 7-Iodoindole |
| Molecular Structure: | |
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|
|
| Formula: | C8H6IN |
| Molecular Weight: | 243.047 |
| Synonyms: | Indole,7-iodo- (7CI);7-Iodoindole; |
| Density: | 1.961 g/cm3 |
| Melting Point: | 52-56 °C |
| Boiling Point: | 341.705 °C at 760 mmHg |
| Flash Point: | 160.458 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41 |
| Safety: | 26 |
| PSA: | 15.79000 |
| LogP: | 2.77250 |
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Specification
The 1H-Indole, 7-iodo-, with the CAS registry number 89976-15-8, is also known as 7-Iodoindole. It belongs to the product categories of Halogenated Heterocycles; Heterocyclic Building Blocks;Indoles; Indoles Building Blocks. This chemical's molecular formula is C8H6IN and molecular weight is 243.0444. What's more, its systematic name is 7-Iodo-1H-indole.
Physical properties about 1H-Indole, 7-iodo- are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 152; (6)ACD/BCF (pH 7.4): 152; (7)ACD/KOC (pH 5.5): 1270; (8)ACD/KOC (pH 7.4): 1270; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 51.435 cm3; (15)Molar Volume: 123.944 cm3; (16)Polarizability: 20.391×10-24 cm3; (17)Surface Tension: 60.955 dyne/cm; (18)Density: 1.961 g/cm3; (19)Flash Point: 160.458 °C; (20)Enthalpy of Vaporization: 56.222 kJ/mol; (21)Boiling Point: 341.705 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. In addition, this chemical has risk of serious damage to eyes. Besides, it is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc2c1ncc2
(2) InChI: InChI=1/C8H6IN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
(3) InChIKey: VBKAPLYISDSUCE-UHFFFAOYAQ