N-Benzyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine

Base Information

• Chemical Name: N-Benzyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
• CAS No.: 306934-83-8
• Molecular Formula: C13H9 Cl N4 O3
• Molecular Weight: 304.69
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00427758
• Wikidata: Q82240449
• ChEMBL ID: CHEMBL2311969
• Mol file: 306934-83-8.mol

Synonyms:N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine;N-Benzyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine;Oprea1_774191;SCHEMBL286617;CHEMBL2311969;DTXSID00427758;EU-0074606;SR-01000081557;J-523471;SR-01000081557-1

Chemical Property of N-Benzyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine

Chemical Property:

• Vapor Pressure: 1.08E-09mmHg at 25°C
• Melting Point: 135-137
• Refractive Index: 1.724
• Boiling Point: 488.6°Cat760mmHg
• Flash Point: 249.3°C
• PSA: 96.77000
• Density: 1.548g/cm³
• LogP: 3.99270
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 270.07529019
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

98%min ^*data from raw suppliers

5-Benzylamino-7-chloro-4-nitro-2,1,3-benzoxadiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=C(C3=NON=C3C=C2)[N+](=O)[O-]