2-Bromo-4-hydrazinylbenzonitrile - ≥95% , CAS No.263845-82-5

CAS: 263845-82-5 Cat. No.: B192415 Molecular Weight: 212.05

GRADE & PURITY ≥95%

Synonyms

HZQRBVOUQZHWJF-UHFFFAOYSA-N | DS-5580 | 2-Bromo-4-hydrazinylbenzonitrile | SY045954 | A877244 | MB06425 | Benzonitrile, 2-bromo-4-hydrazinyl- | FT-0719503 | AKOS016013509 | DTXSID70647582 | SCHEMBL383103 | MFCD08669418 | 2-bromo-4-hydrazinobenzonitrile |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

HZQRBVOUQZHWJF-UHFFFAOYSA-N | DS-5580 | 2-Bromo-4-hydrazinylbenzonitrile | SY045954 | A877244 | MB06425 | Benzonitrile, 2-bromo-4-hydrazinyl- | FT-0719503 | AKOS016013509 | DTXSID70647582 | SCHEMBL383103 | MFCD08669418 | 2-bromo-4-hydrazinobenzonitrile |

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769860
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769860
• Canonical Smiles: C1=CC(=C(C=C1NN)Br)C#N
• IUPAC Name: 2-bromo-4-hydrazinylbenzonitrile
• InChIKey: HZQRBVOUQZHWJF-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrN3/c8-7-3-6(11-10)2-1-5(7)4-9/h1-3,11H,10H2
• Isomeric SMILES: C1=CC(=C(C=C1NN)Br)C#N
• Molecular Weight: 212.05
• Reaxy-Rn: 8480518
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8480518&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Benzonitriles Bromobenzenes Aryl bromides Nitriles Organobromides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Phenylhydrazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Nitrile - Carbonitrile - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrazine derivative - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• 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

• Molecular Weight: 212.050 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.975 Da
• Monoisotopic Mass: 210.975 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 174.000
• 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