4,4'-Diaminobenzophenone - ≥98% , CAS No.611-98-3

CAS: 611-98-3 Cat. No.: D113501 Formula: C₁₃H₁₂N₂O Peso molecolare: 212.25 Beilstein Registry Number: 2211861 Numero EC: 612-099-3

GRADE & PURITY ≥98%

Synonyms

InChI=1/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H | AMY15568 | SY038944 | FT-0601925 | SCHEMBL62657 | 4,4 inverted exclamation mark -Diaminobenzophenone | AS-19934 | NSC6096 | AC-20506 | Bis(4-aminophenyl)methanone # | D1561 | B

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

InChI=1/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H | AMY15568 | SY038944 | FT-0601925 | SCHEMBL62657 | 4,4 inverted exclamation mark -Diaminobenzophenone | AS-19934 | NSC6096 | AC-20506 | Bis(4-aminophenyl)methanone # | D1561 | B

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488184239
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184239
• Sorrisi canonici: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N
• IUPAC Name: bis(4-aminophenyl)methanone
• InChIKey: ZLSMCQSGRWNEGX-UHFFFAOYSA-N
• INCHI: 1S/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H2
• Isomeri SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N
• WGK Germania: 3
• Peso molecolare: 212.25
• Beilstein: 2211861
• Reaxy-Rn: 2211861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Aniline or substituted anilines - Aryl ketone - Benzoyl - Ketone - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to 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

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS3 NS3 (1121 Activities)

Discover Target: NS3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in Methanol almost transparency
• Punto di fusione (°C): 243-247°C
• Peso molecolare: 212.250 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.095 Da
• Monoisotopic Mass: 212.095 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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

Riferimenti

1. Xing Liu, Jianjun Zhou, Minghong Wu, Shumei Liu, Jianqing Zhao.  (2023)  Design and synthesis of anhydride-terminated imide oligomer containing phosphorus and fluorine for high-performance flame-retarded epoxy resins.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.142063]

2. Zirun Chen, Junlong Huang, Yin Cui, Ruowen Fu.  (2022)  Precisely tailored morphology of polyimine for simple synthesis of metal sulfide/carbon flower-like superstructures.  CARBON,      [PMID:] [10.1016/j.carbon.2022.01.021]

3. Yingnan Liu, Lei Xie, Meng Gao, Runhao Zhang, Jingchen Gao, Jiangdong Sun, Qingdong Chai, Tong Wu, Kang Liang, Pu Chen, Qi Wan, Biao Kong.  (2021)  Super-Assembled Periodic Mesoporous Organosilica Frameworks for Real-Time Hypoxia-Triggered Drug Release and Monitoring.  ACS Applied Materials & Interfaces,      [PMID:34637262] [10.1021/acsami.1c15067]

4. Zhong-Qiong Qin, Ze-Tao Xiao, Xi-Yang Lan, Xin Wang, Yuan Hu, Lei Song.  (2025)  Cardanol-derived polybenzoxazine networks integrated with high glass transition temperatures, flame retardancy and toughness.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111232]

5. Lina Jiang, Yanan Ding, Aimei Zhu, Jianyang Wu, Qiugen Zhang, Qinglin Liu.  (2025)  Effect of diamine monomer groups on structure and performance of polyamide nanofiltration membranes with porous organic polymers interlayers.  DESALINATION,      [PMID:] [10.1016/j.desal.2025.119253]

6. Yang Ruixiong, Zhao Dong, Chen Xuesong, Wang Jian, Chen Yong, Zhao Xianlong, Yu Hongli, Feng Yu, Zhao Jing.  (2026)  Enhanced dielectric performance of XLPE with Benzophenone-derived voltage stabilizers: correlation between molecular structure and electrical behavior.  JOURNAL OF POLYMER RESEARCH,  33  (2): (57).  [PMID:] [10.1007/s10965-026-04769-x]

Domande frequenti

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 611-98-3, the molecular formula is C13H12N2O, and the molecular weight is 212.25 g/mol. InChIKey ZLSMCQSGRWNEGX-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.