1,2,4-Benzotriazin-3-amine, 7-bromo-5-methyl-, 1-oxide

Base Information

• Chemical Name: 1,2,4-Benzotriazin-3-amine, 7-bromo-5-methyl-, 1-oxide
• CAS No.: 677297-87-9
• Molecular Formula: C8H7BrN4O
• Molecular Weight: 255.07100
• DSSTox Substance ID: DTXSID70594022
• Mol file: 677297-87-9.mol

Synonyms:677297-87-9;1,2,4-Benzotriazin-3-amine, 7-bromo-5-methyl-, 1-oxide;7-Bromo-5-methyl-1,2,4-benzotriazin-3-amine-1-oxide;7-bromo-5-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;SCHEMBL3734737;DTXSID70594022;AKOS016002848;MB09663;DA-18910;CS-0006700;7-BROMO-5-METHYL-1,2,4-BENZOTRIAZIN-3-AMINE 1-OXIDE;7-Bromo-5-methyl-1-oxo-1lambda~5~,2,4-benzotriazin-3-amine

Chemical Property of 1,2,4-Benzotriazin-3-amine, 7-bromo-5-methyl-, 1-oxide

Chemical Property:

• Vapor Pressure: 1.39E-09mmHg at 25°C
• Boiling Point: 485.6oC at 760 mmHg
• PKA: 3.05±0.50(Predicted)
• Flash Point: 247.5oC
• PSA: 77.26000
• Density: 1.95g/cm3
• LogP: 2.29260
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 253.98032
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%min ^*data from raw suppliers

1,2,4-BENZOTRIAZIN-3-AMINE, 7-BROMO-5-METHYL-, 1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1N=C(N=[N+]2[O-])N)Br