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

CAS: 16292-17-4 Cat. No.: B102486 分子式: C₁₂H₉Br₂N 分子量: 327.01 Beilstein Registry Number: 12(3)1433 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488190817
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488190817
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br
• WGKドイツ: 3
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in methanol
• 融点（°C）: 105-108°C
• 分子量: 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

参考文献

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]

よくある質問

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.

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 16292-17-4, the molecular formula is C12H9Br2N, and the molecular weight is 327.01 g/mol. InChIKey VKVHTZNHLOGHGP-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.