1H-Indazole-7-carboxaldehyde supplier

Name
1H-INDAZOLE-7-CARBALDEHYDE
EINECS
CAS No. 312746-72-8
Article Data3
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O
Boiling Point 358.34 °C at 760 mmHg
Molecular Weight 146.148
Flash Point 174.364 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indazole-7-carbaldehyde;
PSA 45.75000
LogP 1.37540

1H-Indazole-7-carboxaldehyde Specification

The 1H-Indazole-7-carboxaldehyde, with the CAS registry number 312746-72-8, has the IUPAC name of 1H-Indazole-7-carbaldehyde. It belongs to the following product categories: Aldehyde; Building Blocks; Indazole. And the molecular formula of the chemical is C₈H₆N₂O.

The characteristics of 1H-Indazole-7-carboxaldehyde are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.046; (4)ACD/LogD (pH 7.4): 1.046; (5)ACD/BCF (pH 5.5): 3.67; (6)ACD/BCF (pH 7.4): 3.67; (7)ACD/KOC (pH 5.5): 88.271; (8)ACD/KOC (pH 7.4): 88.269; (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: 1.747; (14)Molar Refractivity: 43.373 cm³; (15)Molar Volume: 106.761 cm³; (16)Polarizability: 17.194×10^-24cm³; (17)Surface Tension: 71.011 dyne/cm; (18)Density: 1.369 g/cm³; (19)Flash Point: 174.364 °C; (20)Enthalpy of Vaporization: 60.381 kJ/mol; (21)Boiling Point: 358.34 °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: c1cc2cn[nH]c2c(c1)C=O
(2)InChI: InChI=1/C8H6N2O/c11-5-7-3-1-2-6-4-9-10-8(6)7/h1-5H,(H,9,10)
(3)InChIKey: WSCAEUWXSVHQJM-UHFFFAOYAX

Product Name

1H-INDAZOLE-7-CARBALDEHYDE

1H-Indazole-7-carboxaldehyde Specification

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