Clofentezine solution - analytical standard, 10ug/ml in actone , CAS No.74115-24-5

CAS: 74115-24-5 Cat. No.: C110033 Formule: C₁₄H₈Cl₂N₄ Poids moléculaire: 303.15 Beilstein Registry Number: 7137128 Numéro CE: 277-728-2

GRADE & PURITY Analytical standard, 10ug/ml in actone

Synonyms

Clofentezine, PESTANAL(R), analytical standard | Tox21_300904 | AS-76292 | CAS-74115-24-5 | EPA Pesticide Chemical Code 125501 | Pesticide4_Clofentezine_C14H8Cl2N4_1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)- | AMY37209 | Apollo (pesticide) | Q2979540 | CH

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Clofentezine, PESTANAL(R), analytical standard | Tox21_300904 | AS-76292 | CAS-74115-24-5 | EPA Pesticide Chemical Code 125501 | Pesticide4_Clofentezine_C14H8Cl2N4_1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)- | AMY37209 | Apollo (pesticide) | Q2979540 | CH

Spécifications et pureté

analytical standard, 10ug/ml in actone

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard

Noms et identifiants

Pubchem Sid

528771124

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771124

Sourires canoniques

C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl

IUPAC Name

3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine

InChIKey

UXADOQPNKNTIHB-UHFFFAOYSA-N

INCHI

1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H

Isomères SMILES

C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl

WGK Allemagne

3

RTECS

XF6860000

Poids moléculaire

303.15

Beilstein

7137128

Reaxy-Rn

7137128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7137128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Tetrazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Tetrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: Pesticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 182-185°C
• Poids moléculaire: 303.100 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 302.013 Da
• Monoisotopic Mass: 302.013 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 280.000
• 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