5-Methyl-1H-indazole-3-carbaldehyde supplier

Name
5-METHYL-3-(1H)INDAZOLE CARBOXALDEHYDE
EINECS 604-604-1
CAS No. 518987-35-4
Density 1.302 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O
Boiling Point 366.3 °C at 760 mmHg
Molecular Weight 160.17
Flash Point 178.97 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-1H-indazole-3-carboxaldehyde;1H-indazole-3-carboxaldehyde, 5-methyl-;
PSA 45.75000
LogP 1.68380

5-Methyl-1H-indazole-3-carbaldehyde Specification

The 5-Methyl-1H-indazole-3-carbaldehyde, with the cas registry number 518987-35-4, is also called1H-indazole-3-carboxaldehyde, 5-methyl-. It belongs to the product categories of Aldehyde and Indazole. And the molecular formula of the chemical is C₉H₈N₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 388; (8)ACD/KOC (pH 7.4): 388; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 48.198 cm³; (15)Molar Volume: 123.037 cm³; (16)Polarizability: 19.107×10^-24cm³; (17)Surface Tension: 63.678 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: 178.97 °C; (20)Enthalpy of Vaporization: 61.27 kJ/mol; (21)Boiling Point: 366.3 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc2c(c1)c(n[nH]2)C=O
(2)InChI: InChI=1/C9H8N2O/c1-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-5H,1H3,(H,10,11)
(3)InChIKey: YANNNIQPHXCXGE-UHFFFAOYAS

Product Name

5-METHYL-3-(1H)INDAZOLE CARBOXALDEHYDE

5-Methyl-1H-indazole-3-carbaldehyde Specification

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