Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Phenyl-2H-triazole-4-carbaldehyde |
EINECS | N/A |
CAS No. | 51719-84-7 | Density | 1.32 g/cm3 |
PSA | 58.64000 | LogP | 1.28420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7N3O | Boiling Point | 430.4 °C at 760 mmHg |
Molecular Weight | 173.174 | Flash Point | 215.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-1,2,3-Triazole-4-carboxaldehyde, 5-phenyl-; |
Article Data | 6 |
The CAS registry number of 5-Phenyl-2H-triazole-4-carbaldehyde is 51719-84-7. This chemical is also known as 1H-1,2,3-Triazole-4-carboxaldehyde, 5-phenyl-. Its molecular formula is C9H7N3O and molecular weight is 173.1714. Its systematic name and IUPAC name are the same which is called 5-phenyl-2H-1,2,3-triazole-4-carbaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 3.36; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 81.31; (8)ACD/KOC (pH 7.4): 14.03; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 48.21 cm3; (14)Molar Volume: 131.1 cm3; (15)Surface Tension: 65.8 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 215.1 °C; (18)Enthalpy of Vaporization: 68.59 kJ/mol; (19)Boiling Point: 430.4 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2nnnc2c1ccccc1
(2)InChI: InChI=1/C9H7N3O/c13-6-8-9(11-12-10-8)7-4-2-1-3-5-7/h1-6H,(H,10,11,12)
(3)InChIKey: LLGIAYKTCWJZHF-UHFFFAOYAA