Tris(2,4-pentanedionato)chromium(III) - ≥97% , CAS No.21679-31-2

CAS: 21679-31-2 Cat. No.: T161967 Peso molecular: 349.32 Número EC: 244-526-0

GRADE & PURITY ≥97%

Synonyms

Q4119781 | SY010217 | Chromium(III) acetylacetonate | Tris(acetylacetonato)chromium | MFCD00000015 | chromium(3+);4-oxopent-2-en-2-olate

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Descripción general

Used to modify the surface properties of solid polyurethanes formed in its presence.

Specifications

Sinónimos

Q4119781 | SY010217 | Chromium(III) acetylacetonate | Tris(acetylacetonato)chromium | MFCD00000015 | chromium(3+);4-oxopent-2-en-2-olate

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186538
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186538
• Sonrisas canónicas: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Cr+3]
• IUPAC Name: chromium(3+);4-oxopent-2-en-2-olate
• InChIKey: JWORPXLMBPOPPU-UHFFFAOYSA-K
• INCHI: 1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• Isómeros SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Cr+3]
• RTECS: GB7575000
• Peso molecular: 349.32
• Reaxy-Rn: 6522317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6522317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Vinylogous acids Acryloyl compounds Ketones Enolates Organic oxides Organic chromium salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Vinylogous acid - Enone - Acryloyl-group - Ketone - Organic transition metal salt - Enolate - Organic chromium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• 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

• Solubilidad: Slightly soluble in Methanol,Benzene
• Sensibilidad: Air sensitive
• Punto de inflamación (°F): 392.0 °F
• Punto de inflamación (°C): > 200 °C
• Punto de ebullición (°C): 340℃
• Punto de fusión (°C): 216℃
• Peso molecular: 349.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 349.074 Da
• Monoisotopic Mass: 349.074 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 90.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 3
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 4

XLogP3

Referencias

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2. Minghui Cui, Shuqi Li, Xiaozhen Ma, Jinggang Wang, Xiaolin Wang, Nathan E. Stott, Jing Chen, Jin Zhu, Jing Chen.  (2023)  Sustainable Janus lignin-based polyurethane biofoams with robust antibacterial activity and long-term biofilm resistance.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37977464] [10.1016/j.ijbiomac.2023.128088]

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20. Chenxin Zhou, Yiting Liu, Bo Ouyang, Sen Lin, Yonghua Wang.  (2024)  Systematic evaluation of polyol-assisted acidic deep eutectic solvent pretreatment for improving enzymatic hydrolysis of wheat straw.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.118219]

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22. Ling Zheng, Farzad Seidi, Weibing Wu, Yuanfeng Pan, Huining Xiao.  (2023)  Dual-functional lignin-based hydrogels for sustained release of agrochemicals and heavy metal ion complexation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:36801277] [10.1016/j.ijbiomac.2023.123701]

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25. Mengyang Li, Feng Cao, Jie Gao, Guozheng Lv, Na Du, Jiayi Rong, Chongyuan Ruan, Gaowu Qin.  (2025)  Electrospinning synthesis of N-doped graphene encapsulated FeCoNiCrCu high-entropy alloy nanoparticles for efficient nitrobenzene hydrogenation.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.125473]

26. Tianyuan Xiao, Jiahui Song, Wenchao Jia, Yanning Sun, Yanzhu Guo, Pedram Fatehi, Haiqiang Shi.  (2025)  Cracking aryl ether bonds of lignin by γ-valerolactone (GVL) in coordination with acid lithium bromide molten salt system.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40187460] [10.1016/j.ijbiomac.2025.142643]

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33. Qingyi Xie, Junyi Zhou, Haiquan Sun, Jiamei Fu, Minghui Cui, Xiaolin Wang, Fenglong Li, Jin Zhu, Jing Chen.  (2025)  Castor oil graphted lignin-based polyurethane film with excellent barrier properties.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2025.109767]

34. Maoyuan Huang, Haiyang Li, Jie Zhao, Bo Tan, Shiliang Mei, Wanlu Zhang, Pengfei Tian, Ruiqian Guo.  (2026)  Dual-functional Cr3+-doped InP quantum dots with pure blue emission and room-temperature ferromagnetism.  Advanced Powder Materials,      [PMID:] [10.1016/j.apmate.2026.100393]

35. Tianyuan Xiao, Lu Wu, Lingzhi Huang, Xuanjia Yu, Wenchao Jia, Xueru Sheng, Fengshan Zhang, Yanzhu Guo, Pedram Fatehi, Haiqiang Shi.  (2026)  Ultrasmall, Low-Molecular-Weight Lignin Nanoparticles via Effective Suppression of Lignin Condensation by Strong Nucleophilic Interaction.  ACS Nano,      [PMID:41540549] [10.1021/acsnano.5c17745]

36. Yibo Gao, Jintian Zhong, Xiongxian Lyu, Binjie Jin, Weifeng Liu, Xueqing Qiu.  (2026)  Photothermal-Responsive Lignin-Based Liquid Crystalline Elastomers: Constructing High-Performance Artificial Muscles via a Dual Dynamic Network.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.75049]

37. Changgeng Li, Lu Wu, Zhongshan Wang, Rui Xiao, Lina Shi, Wenchao Jia, Lingzhi Huang, Haiqiang Shi.  (2026)  High-Performance Lignin-Based Polyurethane Elastomer via Solvent Fractionation.  BIOMACROMOLECULES,      [PMID:] [10.1021/acs.biomac.5c02578]

38. Jie Gao, Yan Wu, Guozheng Lv, Mengyang Li, Wei Tian, Na Du, Zhichao Zhang, Shuang Han, Feng Cao.  (2026)  Low-Pd FeCoNiCrCu High-Entropy Alloy Catalysts Encapsulated in N-Doped Carbon Nanofibers for Enhanced Nitroarene Hydrogenation.  ChemNanoMat,  12  (3): (e202500634).  [PMID:] [10.1002/cnma.202500634]