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2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde

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Name

2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde

EINECS N/A
CAS No. 4649-09-6 Density 1.368 g/cm3
PSA 45.75000 LogP 1.37540
Solubility N/A Melting Point 216-220 °C
Formula C8H6N2O Boiling Point 361.1 °C at 760 mmHg
Molecular Weight 146.148 Flash Point 176 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 22-36/37/38-43
Molecular Structure Molecular Structure of 4649-09-6 (7-AZAINDOLE-3-CARBOXALDEHYDE) Hazard Symbols HarmfulXn
Synonyms

3-Formyl-1H-pyrrolo[2,3-b]pyridine;

Article Data 47

2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde 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

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