5-(5-Bromo-3-pyridyl)-1H-tetrazole

Base Information

• Chemical Name: 5-(5-Bromo-3-pyridyl)-1H-tetrazole
• CAS No.: 211943-13-4
• Molecular Formula: C6H4 Br N5
• Molecular Weight: 226.03
• Hs Code.: 2933990090
• European Community (EC) Number: 623-838-4
• DSSTox Substance ID: DTXSID10400274
• Wikidata: Q27461886
• ChEMBL ID: CHEMBL2425111
• Mol file: 211943-13-4.mol

Synonyms:211943-13-4;5-(5-Bromo-3-pyridyl)-1H-tetrazole;3-bromo-5-(2H-tetrazol-5-yl)pyridine;3-bromo-5-(1H-tetrazol-5-yl)pyridine;3-BROMO-5-(2H-TETRAZOL-5-YL)-PYRIDINE;3-bromo-5-(1H-1,2,3,4-tetrazol-5-yl)pyridine;CHEMBL2425111;C6H4BrN5;MFCD02093928;4k8a;SCHEMBL762270;DTXSID10400274;XJGDASCALCDOQH-UHFFFAOYSA-N;BDBM50440378;STK786667;AKOS000271229;AKOS002666640;AB16966;3-bromo-5-(2H-tetraazol-5-yl)pyridine;AS-62977;CS-0204516;FT-0619676;5-(5-Bromo-3-pyridyl)-1H-tetrazole, 97%;EN300-297933;A879205;3-bromo-5-(1H-1,2,3,4-tetraazol-5-yl)pyridine;J-013909;Z1000016;Q27461886;F3173-0014;K8A

Chemical Property of 5-(5-Bromo-3-pyridyl)-1H-tetrazole

Chemical Property:

• Vapor Pressure: 3.98E-07mmHg at 25°C
• Melting Point: 240 °C (dec.)(lit.)
• Refractive Index: 1.664
• Boiling Point: 415.9°Cat760mmHg
• PKA: 3.63±0.22(Predicted)
• Flash Point: 205.3°C
• PSA: 67.35000
• Density: 1.85g/cm³
• LogP: 1.02420
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.96501
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-(2h-tetrazol-5-yl)-pyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1Br)C2=NNN=N2