1,2,4-Triazolo[4,3-a]pyridine,6-bromo- supplier

Name
6-BROMO-1,2,4-TRIAZOLO[4,3-1]PYRIDINE
EINECS 251-156-6
CAS No. 108281-79-4
Article Data6
CAS DataBase
Density 1.891 g/cm³
Solubility
Melting Point 151-153 °C
Formula C₆H₄BrN₃
Boiling Point
Molecular Weight 198.022
Flash Point
Transport Information
Appearance
Safety
Risk Codes Xi:Harmful/Irritant/Keep
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Bromo[1,2,4]triazolo[4,3-a]pyridine;
PSA 30.19000
LogP 1.49180

1,2,4-Triazolo[4,3-a]pyridine,6-bromo- Specification

The 1,2,4-Triazolo[4,3-a]pyridine,6-bromo- is an organic compound with the formula C₆H₄BrN₃. The IUPAC name of this chemical is 6-bromo-[1,2,4]triazolo[4,3-a]pyridine and the CAS registry number is 108281-79-4. The product's categories are Blocks; Pyridines. In addition, this chemical should be kept cold.

The other characteristics of 1,2,4-Triazolo[4,3-a]pyridine,6-bromo- can be summarized as: (1)ACD/LogP: 1.27; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 117; (8)ACD/KOC (pH 7.4): 117; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.751; (13)Molar Refractivity: 42.715 cm³; (14)Molar Volume: 104.7 cm³; (15)Polarizability: 16.934×10^-24 cm³; (16)Surface Tension: 61.834 dyne/cm; (17)Exact Mass: 196.95886; (18)MonoIsotopic Mass: 196.95886; (19)Topological Polar Surface Area: 30.2; (20)Heavy Atom Count: 10; (21)Complexity: 130.

People can use the following data to convert to the molecule structure.
1. SMILES:c1cc2nncn2cc1Br
2. InChI:InChI=1/C6H4BrN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
3. InChIKey:PFKZKSHKBBUZKU-UHFFFAOYAA
4. Std. InChI:InChI=1S/C6H4BrN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
5. Std. InChIKey:PFKZKSHKBBUZKU-UHFFFAOYSA-N

Product Name

6-BROMO-1,2,4-TRIAZOLO[4,3-1]PYRIDINE

1,2,4-Triazolo[4,3-a]pyridine,6-bromo- Specification

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