6-Bromo-1H-indazole-3-carboxaldehyde supplier

Name
6-BROMO-1H-INDAZOLE-3-CARBALDEHYDE
EINECS
CAS No. 885271-72-7
Article Data10
CAS DataBase
Density 1.83 g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂O
Boiling Point 414.1 °C at 760 mmHg
Molecular Weight 225.044
Flash Point 204.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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-
PSA 45.75000
LogP 2.13790

6-Bromo-1H-indazole-3-carboxaldehyde Specification

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

Product Name

6-BROMO-1H-INDAZOLE-3-CARBALDEHYDE

6-Bromo-1H-indazole-3-carboxaldehyde Specification

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