4-Phenylazobenzoyl Chloride - ≥98% , CAS No.104-24-5

CAS: 104-24-5 Cat. No.: P160263 Molecular Weight: 244.68 EC Number: 203-188-4 PubChem CID: 66910

GRADE & PURITY ≥98%

Synonyms

MFCD00041722 | AKOS015916824 | FT-0655137 | 4-Phenylazobenzoyl chloride | Azobenzene-4-carbonyl Chloride | 4-[(E)-phenyldiazenyl]benzoyl chloride | EINECS 203-188-4 | A800939 | p-Phenylazobenzoylchlorid | Benzoyl chloride, 4-(2-phenyldiazenyl)- | 4-(Pheny

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00041722 | AKOS015916824 | FT-0655137 | 4-Phenylazobenzoyl chloride | Azobenzene-4-carbonyl Chloride | 4-[(E)-phenyldiazenyl]benzoyl chloride | EINECS 203-188-4 | A800939 | p-Phenylazobenzoylchlorid | Benzoyl chloride, 4-(2-phenyldiazenyl)- | 4-(Pheny

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183876
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183876
• Canonical Smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)Cl
• IUPAC Name: 4-phenyldiazenylbenzoyl chloride
• InChIKey: RYMHZBAYPLCCAC-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClN2O/c14-13(17)10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9H
• Isomeric SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)Cl
• WGK Germany: 3
• PubChem CID: 66910
• Molecular Weight: 244.68
• Reaxy-Rn: 784861

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzoic acids and derivatives Benzoyl derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Acyl halide - Acyl chloride - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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
• Melt Point(°C): 95 °C
• Molecular Weight: 244.670 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.04 Da
• Monoisotopic Mass: 244.04 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 279.000
• 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. Chongbin Wang, Hongchao Wang, Yongsheng Li, Yuanyuan Feng, Kun Zhang, Sijie Fan, Li Cao.  (2022)  Preparation of chlorine-resistant and regenerable antifouling nanofiltration membrane through interfacial polymerization using beta cyclodextrin monomers.  CHEMOSPHERE,      [PMID:36460156] [10.1016/j.chemosphere.2022.137423]

2. Congcong Yin, Zhe Zhang, Zhenshu Si, Xiansong Shi, Yong Wang.  (2022)  Smart Covalent Organic Frameworks with Intrapore Azobenzene Groups for Light-Gated Ion Transport.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c02239]

3. Ding-Ming Xue, Wen-Juan Zhang, Xiao-Qin Liu, Shi-Chao Qi, Lin-Bing Sun.  (2021)  Fabrication of azobenzene-functionalized porous polymers for selective CO2 capture.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2021.10.029]

4. Xin Zhou, Bowen Li, Mingming Guo, Wenchang Peng, Deping Wang, Qinglu Guo, Shuchao Wang, Dong Ming, Bin Zheng.  (2021)  Microneedle patch based on molecular motor as a spatio-temporal controllable dosing strategy of L-DOPA for Parkinson’s disease.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.131555]