Bis(4-bromophenyl)amine - ≥98% , CAS No.16292-17-4

CAS: 16292-17-4 Cat. No.: B102486 Molecular Weight: 327.01 Beilstein Registry Number: 12(3)1433 EC Number: 628-026-3

GRADE & PURITY ≥98%

Synonyms

Bis-(4-Bromophenyl)amine | Bis-(4-bromo-phenyl)-amine | Bis(4-bromophenyl)amine | EC-000.1578 | DTXSID40348074 | 4-Bromo-n-(4-bromophenyl)benzenamine | 4,4'-Dibromodiphenylamine;N-phenyl-4,4'-dibromoaniline;Bis(p-bromophenyl)amine | 4-Bromo-N-(4-bromophen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Bis-(4-Bromophenyl)amine | Bis-(4-bromo-phenyl)-amine | Bis(4-bromophenyl)amine | EC-000.1578 | DTXSID40348074 | 4-Bromo-n-(4-bromophenyl)benzenamine | 4, 4'-Dibromodiphenylamine;N-phenyl-4, 4'-dibromoaniline;Bis(p-bromophenyl)amine | 4-Bromo-N-(4-bromophen

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190817
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190817
• Canonical Smiles: C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br
• IUPAC Name: 4-bromo-N-(4-bromophenyl)aniline
• InChIKey: VKVHTZNHLOGHGP-UHFFFAOYSA-N
• INCHI: 1S/C12H9Br2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H
• Isomeric SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br
• WGK Germany: 3
• Molecular Weight: 327.01
• Beilstein: 12(3)1433
• Reaxy-Rn: 2104244
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104244&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Bromobenzenes Aryl bromides Secondary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene 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

• Solubility: Soluble in methanol
• Melt Point(°C): 105-108°C
• Molecular Weight: 327.010 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 326.908 Da
• Monoisotopic Mass: 324.91 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• 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

References

1. Pei Yin, Tao Wang, Yuan Yang, Weidong Yin, Shaoxiong Zhang, Zengming Yang, Chunxuan Qi, Hengchang Ma.  (2019)  Positive charge-dependent cell targeted staining and DNA detection.  NEW JOURNAL OF CHEMISTRY,  43  (46): (18251-18258).  [PMID:] [10.1039/C9NJ03993G]

2. Hengchang Ma, Manyi Yang, Shaoxiong Zhang, Pei Yin, Tao Wang, Yuan Yang, Ziqiang Lei, Yucheng Ma, Yanfang Qin, Zengming Yang.  (2018)  Two aggregation-induced emission (AIE)-active reaction-type probes: for real-time detecting and imaging of superoxide anions.  ANALYST,  144  (2): (536-542).  [PMID:30406221] [10.1039/C8AN01811A]

3. Hengchang Ma, Manyi Yang, Caili Zhang, Yucheng Ma, Yanfang Qin, Ziqiang Lei, Lu Chang, Lei Lei, Tao Wang, Yuan Yang.  (2017)  Aggregation-induced emission (AIE)-active fluorescent probes with multiple binding sites toward ATP sensing and live cell imaging.  Journal of Materials Chemistry B,  5  (43): (8525-8531).  [PMID:32264520] [10.1039/C7TB02399E]