Clofentezine - analytical standard, ≥98.6% , CAS No.74115-24-5

CAS: 74115-24-5 Cat. No.: C110031 Formula: C₁₄H₈Cl₂N₄ Peso molecolare: 303.15 Beilstein Registry Number: 7137128 Numero EC: 277-728-2

GRADE & PURITY Analytical standard, ≥98.6%

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

Sinonimi

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

Specifiche e purezza

analytical standard, ≥98.6%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Purezza

≥98.6%

Nomi e identificatori

Pubchem Sid

528771122

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

XF6860000

Peso molecolare

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
• Descrizione: 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 182-185°C
• Peso molecolare: 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