2H-1,2,3-triazole-4-carbaldehyde supplier

Name
1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE
EINECS
CAS No. 16681-68-8
Article Data7
CAS DataBase
Density 1.473 g/cm³
Solubility
Melting Point 141-142℃
Formula C₃H₃N₃O
Boiling Point 319.3 °C at 760 mmHg
Molecular Weight 97.0763
Flash Point 151.4 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms NSC 20115;v-Triazole-4-carboxaldehyde (7CI,8CI);1H-1,2,3-Triazole-4-carboxaldehyde(9CI);
PSA 58.64000
LogP -0.38280

2H-1,2,3-triazole-4-carbaldehyde Specification

This chemical is called 2H-1,2,3-triazole-4-carbaldehyde, and it can also be named as 1H-1,2,3-Triazole-5-carboxaldehyde. With the molecular formula of C₃H₃N₃O, its molecular weight is 97.08. The CAS registry number of this chemical is 16681-68-8.

Other characteristics of the 2H-1,2,3-triazole-4-carbaldehyde can be summarised as followings: (1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.91; (8)ACD/KOC (pH 7.4): 4.41; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.78 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 23.62 cm³; (15)Molar Volume: 65.8 cm³; (16)Polarizability: 9.36×10^-24cm³; (17)Surface Tension: 85.3 dyne/cm; (18)Density: 1.473 g/cm³; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 56.09 kJ/mol; (21)Boiling Point: 319.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000341 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1nnnc1
2.InChI: InChI=1/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)
3.InChIKey: MOLKLIYWXFEEJM-UHFFFAOYAW

Product Name

1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE

2H-1,2,3-triazole-4-carbaldehyde Specification

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