4-[1,2,3]Triazol-2-ylbenzaldehyde supplier

Name
4-(2H-1,2,3-TRIAZOL-2-YL)BENZALDEHYDE
EINECS 604-604-1
CAS No. 179056-04-3
Article Data3
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point 100-102 °C
Formula C₉H₇N₃O
Boiling Point 356.824 °C at 760 mmHg
Molecular Weight 173.174
Flash Point 169.601 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2H-1,2,3-Triazol-2-yl)benzaldehyde;benzaldehyde, 4-(2H-1,2,3-triazol-2-yl)-;4-[1,2,3]Triazol-2-ylbenzaldehyde;
PSA 47.78000
LogP 1.07980

4-[1,2,3]Triazol-2-ylbenzaldehyde Specification

The 4-[1,2,3]Triazol-2-ylbenzaldehyde, with the CAS registry number 179056-04-3, has the systematic name of 4-(2H-1,2,3-triazol-2-yl)benzaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₇N₃O.

The characteristics of 4-[1,2,3]Triazol-2-ylbenzaldehyde are as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 69; (8)ACD/KOC (pH 7.4): 69; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.78 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 49.838 cm³; (15)Molar Volume: 137.891 cm³; (16)Polarizability: 19.757×10^-24cm³; (17)Surface Tension: 52.715 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 169.601 °C; (20)Enthalpy of Vaporization: 60.213 kJ/mol; (21)Boiling Point: 356.824 °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: c1cc(ccc1C=O)n2nccn2
(2)InChI: InChI=1/C9H7N3O/c13-7-8-1-3-9(4-2-8)12-10-5-6-11-12/h1-7H
(3)InChIKey: CTYWOTWHICQOMA-UHFFFAOYAC

Product Name

4-(2H-1,2,3-TRIAZOL-2-YL)BENZALDEHYDE

4-[1,2,3]Triazol-2-ylbenzaldehyde Specification

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