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1H-Benzo[g]indole-3-carboxaldehyde

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Name

1H-Benzo[g]indole-3-carboxaldehyde

EINECS N/A
CAS No. 51136-18-6 Density 1.322 g/cm3
PSA 32.86000 LogP 3.13360
Solubility N/A Melting Point 231-236 °C
Formula C13H9NO Boiling Point 443.8 °C at 760 mmHg
Molecular Weight 195.221 Flash Point 227 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 51136-18-6 (1H-Benzo[g]indole-3-carboxaldehyde) Hazard Symbols HarmfulXn
Synonyms

3-Formyl-1H-benzo[g]indole;

Article Data 8

1H-Benzo[g]indole-3-carboxaldehyde 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

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

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