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| CAS No.: | 51136-18-6 |
|---|---|
| Name: | 1H-Benzo[g]indole-3-carboxaldehyde |
| Molecular Structure: | |
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|
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| Formula: | C13H9NO |
| Molecular Weight: | 195.221 |
| Synonyms: | 3-Formyl-1H-benzo[g]indole; |
| Density: | 1.322 g/cm3 |
| Melting Point: | 231-236 °C |
| Boiling Point: | 443.8 °C at 760 mmHg |
| Flash Point: | 227 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 32.86000 |
| LogP: | 3.13360 |
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Specification
The 1H-Benzo[g]indole-3-carboxaldehyde, with the CAS registry number 51136-18-6, is also known as 3-Formyl-1H-benzo[g]indole. This chemical's molecular formula is C13H9NO and molecular weight is 195.22. What's more, its systematic name is 1H-benzo[g]indole-3-carbaldehyde.
Physical properties of 1H-Benzo[g]indole-3-carboxaldehyde are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 96.66; (6)ACD/BCF (pH 7.4): 96.66; (7)ACD/KOC (pH 5.5): 917.61; (8)ACD/KOC (pH 7.4): 917.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.8; (14)Molar Refractivity: 63.12 cm3; (15)Molar Volume: 147.6 cm3; (16)Polarizability: 25.02×10-24cm3; (17)Surface Tension: 65.2 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 227 °C; (20)Enthalpy of Vaporization: 70.15 kJ/mol; (21)Boiling Point: 443.8 °C at 760 mmHg; (22)Vapour Pressure: 4.5E-08 mmHg at 25°C.
Uses of 1H-Benzo[g]indole-3-carboxaldehyde: it can be used to produce 3-styryl-1H-benzo[g]indole at the ambient temperature. It will need reagent t-BuOK and solvent 2-methyl-propan-2-ol with the reaction time of 24 hours. The yield is about 30%.
![1H-Benzo[g]indole-3-carboxaldehyde can be used to produce 3-styryl-1H-benzo[g]indole at the ambient temperature](/UserFilesUpload/Uses of 1H-Benzo[g]indole-3-carboxaldehyde.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc3c2c(c1ccccc1cc2)nc3
(2)InChI: InChI=1S/C13H9NO/c15-8-10-7-14-13-11-4-2-1-3-9(11)5-6-12(10)13/h1-8,14H
(3)InChIKey: NYIGHGXJJVOYCQ-UHFFFAOYSA-N