Diphenylmethane-4,4′-dicarboxylic acid - ≥96% , CAS No.790-83-0

CAS: 790-83-0 Cat. No.: D349657 Peso molecular: 256.25 Número EC: 674-232-1

GRADE & PURITY ≥96%

Synonyms

DIPHENYLMETHANE-4,4-DICARBOXYLICACID | DTXSID30310785 | E75811 | p,p'-Methylenedibenzoic acid | Benzoicacid,4,4'-methylenebis- | BS-48967 | 4,4'-methylenedibenzoic acid | SCHEMBL68390 | MFCD00060322 | FT-0676246 | A839577 | AKOS025309996 | Diphenylmethane

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DIPHENYLMETHANE-4, 4-DICARBOXYLICACID | DTXSID30310785 | E75811 | p, p'-Methylenedibenzoic acid | Benzoicacid, 4, 4'-methylenebis- | BS-48967 | 4, 4'-methylenedibenzoic acid | SCHEMBL68390 | MFCD00060322 | FT-0676246 | A839577 | AKOS025309996 | Diphenylmethane

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488189448
• Sonrisas canónicas: C1=CC(=CC=C1CC2=CC=C(C=C2)C(=O)O)C(=O)O
• IUPAC Name: 4-[(4-carboxyphenyl)methyl]benzoic acid
• InChIKey: VTDMBRAUHKUOON-UHFFFAOYSA-N
• INCHI: 1S/C15H12O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
• Isómeros SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)C(=O)O)C(=O)O
• Peso molecular: 256.25
• Reaxy-Rn: 1982242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1982242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 346-350° C
• Peso molecular: 256.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.074 Da
• Monoisotopic Mass: 256.074 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 291.000
• 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

Referencias

1. Liang Fenglan, Lu Kuan, Yan Jingjing, Lin Weijie, Ding Wanqiu, Lu Husheng, Lin Dongting, Sakiyama Hiroshi, Ma Deyun, Qin Liang.  (2016)  Hydrostable coordination polymers of a methyl-functionalized 4,4′-bipyridine ligand: structure, stability, magnetic and luminescent properties.  TRANSITION METAL CHEMISTRY,  41  (5): (489-498).  [PMID:] [10.1007/s11243-016-0044-5]

2. Guo Haifu, Lei Jiamei, Qin Liang, Liang Yunqiu, Yan Jingjing, Lin Weijie, Ding Wanqiu, Sakiyama Hiroshi, Liu Jianqiang, Ma Deyun.  (2016)  Metal-Controlled Assembly of Two Coordination Polymers Built from 4,4′-Methylenedibenzoic Acid with or Without Methyl-Functionalized N-Donor Ligand.  Journal of Inorganic and Organometallic Polymers and Materials,  26  (2): (413-422).  [PMID:] [10.1007/s10904-015-0323-1]

3. Mengting Xu, Zeyu Chen, Yeyang Ni, Wanyong Yang, Xihua Xu, Qing Liu, Zhaoyang Fei, Mifen Cui, Xu Qiao.  (2024)  Enhancement tetracycline adsorption by amino/nitro-functionalized MIL-126(Fe) adsorbent based on the ligand installation method.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2024.113228]