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4649-09-6

Basic Information
CAS No.: 4649-09-6
Name: 7-AZAINDOLE-3-CARBOXALDEHYDE
Article Data: 47
Molecular Structure:
Molecular Structure of 4649-09-6 (7-AZAINDOLE-3-CARBOXALDEHYDE)
Formula: C8H6N2O
Molecular Weight: 146.148
Synonyms: 3-Formyl-1H-pyrrolo[2,3-b]pyridine;
Density: 1.368 g/cm3
Melting Point: 216-220 °C
Boiling Point: 361.1 °C at 760 mmHg
Flash Point: 176 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38-43
Safety: 26-36/37
PSA: 45.75000
LogP: 1.37540
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    7-AZAINDOLE-3-CARBOXALDEHYDE Chemical properties CAS:4649-09-6 MF:C8H6N2O MW:146.15 EINECS: Properties Melting point:216-220 °C Boiling point:379.6±42.0 °C(Predicted) Density 1.31 pka6.07±0.20(Predicted) Safety Information Sym

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    4649-09-6

    7-azaindole-3-carboxaldehyde

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  • 1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde

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    4649-09-6

    1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde

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  • 7-azaindole-3-carboxaldehyde?

  • Casno:

    4649-09-6

    7-azaindole-3-carboxaldehyde?

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  • 1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde CAS No. 4649-09-6

  • Casno:

    4649-09-6

    1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde CAS No. 4649-09-6

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Specification

The CAS registry number of 2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde is 4649-09-6. It belongs to the product categories of Heterocycles series; Aldehydes; Fused Ring Systems. This chemical is also named as 3-Formyl-1H-pyrrolo[2,3-b]pyridine. In addition, its molecular formula is C8H6N2O and molecular weight is 146.15. Its systematic name and IUPAC name are the same which is called 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Physical properties about 2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.87; (6)ACD/BCF (pH 7.4): 4.9; (7)ACD/KOC (pH 5.5): 107.78; (8)ACD/KOC (pH 7.4): 108.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.747; (13)Molar Refractivity: 43.37 cm3; (14)Molar Volume: 106.7 cm3; (15)Surface Tension: 71 dyne/cm; (16)Density: 1.368 g/cm3; (17)Flash Point: 176 °C; (18)Enthalpy of Vaporization: 60.69 kJ/mol; (19)Boiling Point: 361.1 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1cccnc1nc2
(2)InChI: InChI=1/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10)
(3)InChIKey: KAIWRKYDYWYFIT-UHFFFAOYAF