4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole - ≥90%(GC) , CAS No.1254062-41-3

CAS: 1254062-41-3 Cat. No.: B152809 Peso molecular: 553.38

GRADE & PURITY ≥90%(GC)

Synonyms

D89091 | 4,7-bis(5-bromothiophen-2-yl)-2-octylbenzotriazole | 4,7-bis(5-bromothiophen-2-yl)-2-octyl-2H-1,2,3-benzotriazole | DTXSID70857043 | 4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole | B4542 | 1254062-39-9 | 1254062-41-3 | 4,7-Bis(5-bromothio

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

D89091 | 4, 7-bis(5-bromothiophen-2-yl)-2-octylbenzotriazole | 4, 7-bis(5-bromothiophen-2-yl)-2-octyl-2H-1, 2, 3-benzotriazole | DTXSID70857043 | 4, 7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole | B4542 | 1254062-39-9 | 1254062-41-3 | 4, 7-Bis(5-bromothio

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 504772206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772206
• Sonrisas canónicas: CCCCCCCCN1N=C2C(=CC=C(C2=N1)C3=CC=C(S3)Br)C4=CC=C(S4)Br
• IUPAC Name: 4,7-bis(5-bromothiophen-2-yl)-2-octylbenzotriazole
• InChIKey: KPXJKVVGOPZOPK-UHFFFAOYSA-N
• INCHI: 1S/C22H23Br2N3S2/c1-2-3-4-5-6-7-14-27-25-21-15(17-10-12-19(23)28-17)8-9-16(22(21)26-27)18-11-13-20(24)29-18/h8-13H,2-7,14H2,1H3
• Isómeros SMILES: CCCCCCCCN1N=C2C(=CC=C(C2=N1)C3=CC=C(S3)Br)C4=CC=C(S4)Br
• Peso molecular: 553.38
• Reaxy-Rn: 37126714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37126714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: 2,5-disubstituted thiophenes Benzenoids Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Benzenoid - 1,2,3-triazole - Triazole - Thiophene - Azole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Peso molecular: 553.400 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 552.968 Da
• Monoisotopic Mass: 550.97 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 478.000
• 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