4,4'-Biphenyldicarbonyl Chloride - ≥97%(T) , CAS No.2351-37-3

CAS: 2351-37-3 Cat. No.: B152053 Molecular Weight: 279.12 EC Number: 219-085-2

GRADE & PURITY ≥97%(T)

Synonyms

EINECS 219-085-2 | MFCD00058934 | 4,4'-biphenyldicarboxylic acid dichloride | (1,1'-Biphenyl)-4,4'-dicarbonyl dichloride | FT-0617004 | 4,4'-Biphenyldicarbonyl chloride | 4,4'-biphenyldicarboxylic acid chloride | SCHEMBL727046 | 39R3G8K3DU | 4,4'-Bibenzoy

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

EINECS 219-085-2 | MFCD00058934 | 4, 4'-biphenyldicarboxylic acid dichloride | (1, 1'-Biphenyl)-4, 4'-dicarbonyl dichloride | FT-0617004 | 4, 4'-Biphenyldicarbonyl chloride | 4, 4'-biphenyldicarboxylic acid chloride | SCHEMBL727046 | 39R3G8K3DU | 4, 4'-Bibenzoy

Specifications & Purity

≥97%(T)

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 504754938
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754938
• Canonical Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)Cl)C(=O)Cl
• IUPAC Name: 4-(4-carbonochloridoylphenyl)benzoyl chloride
• InChIKey: QDBOAKPEXMMQFO-UHFFFAOYSA-N
• INCHI: 1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)Cl)C(=O)Cl
• Molecular Weight: 279.12
• Reaxy-Rn: 650372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=650372&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoic acids and derivatives Benzoyl derivatives Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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,Heat Sensitive
• Melt Point(°C): 189 °C
• Molecular Weight: 279.100 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 277.99 Da
• Monoisotopic Mass: 277.99 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 282.000
• 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. Ge Zhu, Haoji Lao, Feng Feng, Minyan Wang, Xingzhong Fang, Guofei Chen.  (2022)  Synthesis and characterization of poly(amide-imide)s with high Tg and low CTE derived from isomeric amide-containing diamines.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2022.111558]

2. Zafar A. K. Khattak, Nazir Ahmad, Hussein A. Younus, Habib Ullah, Baoyi Yu, Khurram S. Munawar, Muhammad Ashfaq, Muhammad Yaseen, Muhammad Danish, Mohammed Al-Abri, Rashid AlHajri, Francis Verpoort.  (2024)  Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs.  Catalysis Science & Technology,      [PMID:] [10.1039/D3CY01709E]