1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- supplier

Name
6-CHLORO-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZINE
EINECS
CAS No. 52494-53-8
Article Data5
CAS DataBase
Density 1.62 g/cm³
Solubility
Melting Point
Formula C₉H₅ClN₄
Boiling Point
Molecular Weight 204.619
Flash Point
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms NSC 228171;
PSA 43.08000
LogP 1.93090

1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- Specification

This chemical is called 1,2,4-Triazolo[3,4-a]phthalazine,6-chloro-, and its systematic name is 6-chloro[1,2,4]triazolo[3,4-a]phthalazine. With the molecular formula of C₉H₅ClN₄, its molecular weight is 204.62. The CAS registry number of this chemical is 52494-53-8.

Other characteristics of the 1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 43.08 Å²; (7)Index of Refraction: 1.803; (8)Molar Refractivity: 54.09 cm³; (9)Molar Volume: 126.1 cm³; (10)Polarizability: 21.44×10^-24cm³; (11)Surface Tension: 66 dyne/cm; (12)Density: 1.62 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2nn1c(nnc1)c3c2cccc3
2.InChI: InChI=1/C9H5ClN4/c10-8-6-3-1-2-4-7(6)9-12-11-5-14(9)13-8/h1-5H
3.InChIKey: BSXQUTKJCQAPNE-UHFFFAOYAV

Product Name

6-CHLORO-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZINE

1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- Specification

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