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5-phenyl-1,2,3-triazine - ≥95%, high purity , CAS No.106636-96-8

    Grade & Purity:
  • ≥95%
In stock
Item Number
P463327
Grouped product items
SKU Size
Availability
Price Qty
P463327-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,401.90

Basic Description

Synonyms 5-phenyltriazine | 5-phenyl-triazine | EX-A3503 | DTXSID60566213 | SCHEMBL6361979 | starbld0032694 | 1,2,3-Triazine, 5-phenyl- | 5-phenyl-1,2,3-triazine
Specifications & Purity ≥95%
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Description

5-Phenyl-1,2,3-triazine is a phenyl triazine derivative. 5-phenyl-1,2,3-triazine exhibits electronic and nonlinear optical properties. 5-Phenyl-1,2,3-triazine can be prepared from 4-bromopyrazole. It undergoes Diels-Alder reaction with ketene acetal.The following 1,2,3-triazine was reported by Boger and coworkers to undergo an Inverse Electron Demand Diels-Alder with electron rich dienophiles to afford nitrogen-containing heterocycles, more specifically pyrimidines and novel-substituted pyridines.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Triazines
Subclass 1,2,3-triazines
Intermediate Tree Nodes Not available
Direct Parent 1,2,3-triazines
Alternative Parents Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents 1,2,3-triazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as 1,2,3-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 3.
External Descriptors Not available

Names and Identifiers

IUPAC Name 5-phenyltriazine
INCHI InChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-10-12-11-7-9/h1-7H
InChIKey KJZQIXWSZPPOHO-UHFFFAOYSA-N
Smiles C1=CC=C(C=C1)C2=CN=NN=C2
Isomeric SMILES C1=CC=C(C=C1)C2=CN=NN=C2
PubChem CID 14967435
Molecular Weight 157.17

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 157.170 g/mol
XLogP3 0.900
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 157.064 Da
Monoisotopic Mass 157.064 Da
Topological Polar Surface Area 38.700 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 126.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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