3,6-Di(2-pyridyl)-1,2,4,5-tetrazine
Catalog Number
ACM1671870
CAS
1671-87-0
IUPAC Name
3,6-dipyridin-2-yl-1,2,4,5-tetrazine;
Synonyms
3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine
Molecular Weight
236.24
Molecular Formula
C12H8N6
Product Information
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
InChIKey
JFBIRMIEJBPDTQ-UHFFFAOYSA-N
Melting Point
225 °C
Purity
>98.0%(HPLC)
Appearance
Red to Dark red to Brown powder to crystal
storage
Store under inert gas
Complexity
227
Condition To Avoid
Air Sensitive
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
18
MDL Number
MFCD00121717
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.
Reaxys Registry Number
405091
Refractive Index
1.62
Rotatable Bond Count
2
Signal Word
Warning
Specific Gravity
1.16
Monoisotopic Mass
236.081g/mol
Topological Polar Surface Area
77.3A^2
Exact Mass
236.081g/mol
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