2-Bromodiphenylamine - ≥98% , CAS No.61613-22-7

CAS: 61613-22-7 Cat. No.: B292602 Formule: C₁₂H₁₀BrN Poids moléculaire: 248.12 Numéro CE: 833-585-3

GRADE & PURITY ≥98%

Synonyms

MFCD01851817 | 2-Bromodiphenylamine | EN300-266312 | W17701 | DTXSID70423762 | AMY19517 | AS-57370 | Benzenamine, 2-bromo-N-phenyl- | 2-bromo-N-phenylaniline | AKOS028111803 | FT-0714155 | N-(2-bromophenyl)aniline | SCHEMBL3270611 | SY039739 | B5744

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

MFCD01851817 | 2-Bromodiphenylamine | EN300-266312 | W17701 | DTXSID70423762 | AMY19517 | AS-57370 | Benzenamine, 2-bromo-N-phenyl- | 2-bromo-N-phenylaniline | AKOS028111803 | FT-0714155 | N-(2-bromophenyl)aniline | SCHEMBL3270611 | SY039739 | B5744

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488195760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195760
• Sourires canoniques: C1=CC=C(C=C1)NC2=CC=CC=C2Br
• IUPAC Name: 2-bromo-N-phenylaniline
• InChIKey: WAAWAHYRHUWAFM-UHFFFAOYSA-N
• INCHI: 1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
• Isomères SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2Br
• Poids moléculaire: 248.12
• Reaxy-Rn: 2719431
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719431&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-bromoanilines
• Alternative Parents: Bromobenzenes Primary aromatic amines Aryl bromides Secondary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Halobenzene - Bromobenzene - Primary aromatic amine - Aryl halide - Aryl bromide - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
• 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Indice de réfraction: 1.66
• Point d'éclair (°C): 149 °C
• Point d'ébullition (°C): 141 °C/3 mmHg
• Poids moléculaire: 248.120 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247 Da
• Monoisotopic Mass: 247 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 61613-22-7, the molecular formula is C12H10BrN, and the molecular weight is 248.12 g/mol. InChIKey WAAWAHYRHUWAFM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.