Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-1H-indazole-3-carboxaldehyde |
EINECS | N/A |
CAS No. | 885271-72-7 | Density | 1.83 g/cm3 |
PSA | 45.75000 | LogP | 2.13790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrN2O | Boiling Point | 414.1 °C at 760 mmHg |
Molecular Weight | 225.044 | Flash Point | 204.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-BROMO-1H-INDAZOLE-3-CARBALDEHYDE;6-BROMO-1H-INDAZOLE-3-CARBOXALDEHYDE;6-BROMO-INDAZOLE-3-CARBOXALDEHYDE;Bromoindazolecarboxaldehyde;1H-Indazole-3-carboxaldehyde,6-broMo- |
Article Data | 10 |
The 6-Bromo-1H-indazole-3-carboxaldehyde, with the CAS registry number 885271-72-7, is also known as 1H-Indazole-3-carboxaldehyde, 6-bromo-. It belongs to the product category of Indazole. This chemical's molecular formula is C8H5BrN2O and molecular weight is 225.04. Its systematic name is called 6-bromo-1H-indazole-3-carbaldehyde.
Physical properties of 6-Bromo-1H-indazole-3-carboxaldehyde: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (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: 1.769; (10)Molar Refractivity: 51.06 cm3; (11)Molar Volume: 122.9 cm3; (12)Surface Tension: 73.8 dyne/cm; (13)Density: 1.83 g/cm3; (14)Flash Point: 204.2 °C; (15)Enthalpy of Vaporization: 66.69 kJ/mol; (16)Boiling Point: 414.1 °C at 760 mmHg; (17)Vapour Pressure: 4.58E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2c(c1)nnc2C=O
(2)InChI: InChI=1/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
(3)InChIKey: RQQKGUPOPZJRLE-UHFFFAOYAO