1,2,4,5-Tetrazine,3...

1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- 53876-70-3

1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- 53876-70-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- 1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- 53876-70-3

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro-
【Iupac name】
3,6-bis(4-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
【CAS Registry number】
53876-70-3
【Synonyms】
1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,2-dihydro- (9CI)
3,6-Bis(4-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
NSC 377131
【Molecular Formula】
C14H10 Cl2 N4 (Products with the same molecular formula)
【Molecular Weight】
305.16
【Inchi】
InChI=1/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-17-19-14(20-18-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18)(H,19,20)
【Canonical SMILES】
C1=CC(=CC=C1C2=NNC(=NN2)C3=CC=C(C=C3)Cl)Cl
【MOL File】
53876-70-3.mol
Chemical and Physical Properties
【Density】
1.45g/cm3
【Boiling Point】
413°Cat760mmHg
【Refractive Index】
1.696
【Flash Point】
203.6°C
【Computed Properties】
Molecular Weight:305.162 [g/mol]
Molecular Formula:C14H10Cl2N4
XLogP3-AA:4.6
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:304.028252
MonoIsotopic Mass:304.028252
Topological Polar Surface Area:48.8
Heavy Atom Count:20
Formal Charge:0
Complexity:356
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:2.4
Conformer Sampling RMSD:0.6
CID Conformer Count:3

 

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