3,6-Di(2-pyridyl)-1,2,4,5-tetrazine

• CAS: 1671-87-0
• Catalog Number: ACM1671870
• Category: Other Products
• Molecular Weight: 236.24
• Molecular Formula: C12H8N6
• Synonyms: 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine
• IUPAC Name: 3,6-dipyridin-2-yl-1,2,4,5-tetrazine
• Canonical SMILES: C1=CC=NC(=C1)C2=NN=C(N=N2)C3=CC=CC=N3
• InChI: InChI=1S/C12H8N6/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10/h1-8H
• InChI Key: JFBIRMIEJBPDTQ-UHFFFAOYSA-N
• Melting Point: 225 °C
• Appearance: Red to Dark red to Brown powder to crystal
• Storage: Store under inert gas
• Complexity: 227
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• Exact Mass: 236.081g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• Heavy Atom Count: 18
• MDL Number: MFCD00121717
• Monoisotopic Mass: 236.081g/mol
• NSC Number: 238155
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.62
• Rotatable Bond Count: 2
• Signal Word: Warning
• Specific Gravity: 1.16
• Topological Polar Surface Area: 77.3A^2