4-Chloro-3-formyl-7-azaindole supplier

Name
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-chloro-
EINECS
CAS No. 918515-16-9
Article Data5
CAS DataBase
Density 1.521 g/cm³
Solubility
Melting Point
Formula C₈H₅ClN₂O
Boiling Point 372.6 °C at 760 mmHg
Molecular Weight 180.593
Flash Point 179.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde;
PSA 45.75000
LogP 2.02880

4-Chloro-3-formyl-7-azaindole Specification

This chemical is called 4-Chloro-3-formyl-7-azaindole, and it can also be named as 4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde. With the molecular formula of C₈H₅ClN₂O, its molecular weight is 180.59. The CAS registry number of this chemical is 918515-16-9.

Other characteristics of the 4-Chloro-3-formyl-7-azaindole can be summarised as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.75 Å²; (9)Index of Refraction: 1.748; (10)Molar Refractivity: 48.26 cm³; (11)Molar Volume: 118.7 cm³; (12)Polarizability: 19.13×10^-24cm³; (13)Surface Tension: 71.9 dyne/cm; (14)Density: 1.521 g/cm³; (15)Flash Point: 179.1 °C; (16)Enthalpy of Vaporization: 61.97 kJ/mol; (17)Boiling Point: 372.6 °C at 760 mmHg; (18)Vapour Pressure: 9.53E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cnc2c(c1Cl)c(c[nH]2)C=O
2.InChI: InChI=1/C8H5ClN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)
3.InChIKey: DYWWVLQMUUZZRJ-UHFFFAOYAG

Product Name

1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-chloro-

4-Chloro-3-formyl-7-azaindole Specification

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