5-[4'-(Bromomethyl)-1,1'-biphenyl-2-yl]-1-triphenylmethyl-1H-tetrazole - ≥96% , CAS No.124750-51-2

CAS: 124750-51-2 Cat. No.: B138124 Molecular Weight: 557.5 EC Number: 603-010-9

GRADE & PURITY ≥96%

Synonyms

4-bromomethyl-2'-(N-trityltetrazol-5-yl)biphenyl | 5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1h-tetraazole | 5-(4'-(bromomethyl)biphenyl-2-yl)-1-trityl-1h-tetrazole | AM90281 | DTXSID80434768 | Q-200519 | [2'-(1-trityl-1H-tetrazol-5-yl)bipheyl-4-y

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-bromomethyl-2'-(N-trityltetrazol-5-yl)biphenyl | 5-(4'-(Bromomethyl)(1, 1'-biphenyl)-2-yl)-1-trityl-1h-tetraazole | 5-(4'-(bromomethyl)biphenyl-2-yl)-1-trityl-1h-tetrazole | AM90281 | DTXSID80434768 | Q-200519 | [2'-(1-trityl-1H-tetrazol-5-yl)bipheyl-4-y

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504765221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765221
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)C5=CC=CC=C5C6=CC=C(C=C6)CBr
• IUPAC Name: 5-[2-[4-(bromomethyl)phenyl]phenyl]-1-trityltetrazole
• InChIKey: ZTFVTXDWDFIQEU-UHFFFAOYSA-N
• INCHI: 1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)C5=CC=CC=C5C6=CC=C(C=C6)CBr
• Molecular Weight: 557.5
• Reaxy-Rn: 5836371
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5836371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Biphenyls and derivatives Phenyltetrazoles and derivatives Benzyl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Biphenyl - Phenyltetrazole - Benzyl bromide - Benzyl halide - Monocyclic benzene moiety - Azole - Tetrazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl bromide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 557.500 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 556.126 Da
• Monoisotopic Mass: 556.126 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 660.000
• 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