2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl- supplier

Name
7-Bromo-2-methyl-2H-indazole-3-carbaldehyde
EINECS
CAS No. 845751-70-4
Article Data2
CAS DataBase
Density 1.65 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂O
Boiling Point 397.845 °C at 760 mmHg
Molecular Weight 239.071
Flash Point 194.41 °C
Transport Information
Appearance intermediate in orgaic syntheses
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Bromo-2-methyl-2H-indazole-3-carbaldehyde;7-Bromo-2-methyl-indazole-3-carbaldehyde;
PSA 34.89000
LogP 2.14830

2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl- Specification

The 2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl-, with the CAS registry number 845751-70-4, is also known as 7-Bromo-2-methyl-2H-indazole-3-carbaldehyde. This chemical's molecular formula is C₉H₇BrN₂O and molecular weight is 239.07. What's more, its systematic name is 7-Bromo-2-methyl-indazole-3-carbaldehyde.

Physical properties of 2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.302; (4)ACD/LogD (pH 7.4): 2.302; (5)ACD/BCF (pH 5.5): 33.098; (6)ACD/BCF (pH 7.4): 33.098; (7)ACD/KOC (pH 5.5): 426.083; (8)ACD/KOC (pH 7.4): 426.083; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.155 cm³; (15)Molar Volume: 144.872 cm³; (16)Polarizability: 21.469×10^-24cm³; (17)Surface Tension: 51.355 dyne/cm; (18)Density: 1.65 g/cm³; (19)Flash Point: 194.41 °C; (20)Enthalpy of Vaporization: 64.834 kJ/mol; (21)Boiling Point: 397.845 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=C2C=CC=C(C2=N1)Br)C=O
(2)InChI: InChI=1S/C9H7BrN2O/c1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-5H,1H3
(3)InChIKey: NSLRTSWDWSKOIE-UHFFFAOYSA-N

Product Name

7-Bromo-2-methyl-2H-indazole-3-carbaldehyde

2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl- Specification

Related Products

Hot Products