Isobutyryl Chloride - ≥98% , CAS No.79-30-1

CAS: 79-30-1 Cat. No.: I107549 Peso molecular: 106.55 Beilstein Registry Number: 605393 Número EC: 201-194-1

GRADE & PURITY ≥98%

Synonyms

alpha-Methylpropionyl chloride | EN300-19270 | AKOS000121210 | UN2395 | JC10135 | STR00509 | Isobutanoyl chloride | UNII-6617F0VJZC | iso butyryl chloride | Isobutyryl chloride [UN2395] [Flammable liquid] | F2190-0012 | DTXCID7031115 | isobutyric chlorid

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

Isobutyryl chloride reacts with guanine to yield N(2)-isobutyrylguanine.
Usually used in the synthesis of fully isobutyramide terminated hyperbranched polyethylenimines,the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum.

Specifications

Sinónimos

alpha-Methylpropionyl chloride | EN300-19270 | AKOS000121210 | UN2395 | JC10135 | STR00509 | Isobutanoyl chloride | UNII-6617F0VJZC | iso butyryl chloride | Isobutyryl chloride [UN2395] [Flammable liquid] | F2190-0012 | DTXCID7031115 | isobutyric chlorid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753830
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753830
• Sonrisas canónicas: CC(C)C(=O)Cl
• IUPAC Name: 2-methylpropanoyl chloride
• InChIKey: DGMOBVGABMBZSB-UHFFFAOYSA-N
• INCHI: 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
• Isómeros SMILES: CC(C)C(=O)Cl
• WGK Alemania: 1
• RTECS: UC3944000
• Número ONU: 2395
• Grupo de embalaje: II
• Peso molecular: 106.55
• Beilstein: 605393
• Reaxy-Rn: 605393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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: Miscible with chloroform, glacial acetic acid, ether, toluene, methylene chloride and benzene
• Sensibilidad: Moisture sensitive.
• Índice de refracción: n20/D 1.407
• Punto de inflamación (°F): 46.4 °F
• Punto de inflamación (°C): 8 °C
• Punto de ebullición (°C): 93°C
• Punto de fusión (°C): -90°C
• Peso molecular: 106.550 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 106.019 Da
• Monoisotopic Mass: 106.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.600
• 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. Song Jie, Zhang Rong, Han Jiaxuan, Dou Yufang, Yu Shuang, Ma Xiaoyan.  (2023)  Preparation and Performance Study of Polybutylene Succinate/Esterified Modified Luteolin Composite Materials.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,      [PMID:] [10.1007/s10924-023-03001-x]

2. Yufei Zhang, Yijie Cheng, Yunjian Yu, Jie Li, Yuqing Hu, Yingchao Gao, Siyuan Huang, Wenbo Wang, Xinge Zhang.  (2022)  Virus-like-inspired nanoparticles facilitate bacterial internalization for enhanced eradication of drug-resistant pathogens.  NEW JOURNAL OF CHEMISTRY,  46  (30): (14410-14420).  [PMID:] [10.1039/D2NJ01868C]

3. Bing Chen, Qiang Zhang, Mangeng Lu, Huifa Meng, Zhencai Qu, Chang'an Xu, Enxiang Jiao.  (2021)  Synthesis of a novel lignin-based epoxy resin curing agent and study of cure kinetics, thermal, and mechanical properties.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (23): (50523).  [PMID:] [10.1002/app.50523]

4. Yujian Liu, Qun Jia, Yuansheng Ding, Yougen Chen.  (2020)  Synthesis of Polyacrylate-Based Polyurethane by Organocatalyzed Group Transfer Polymerization and Polyaddition.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  221  (18): (2000217).  [PMID:] [10.1002/macp.202000217]

5. Jiaxiang Liu, Yongwen Zhang, Ruijuan Yao, Haitao Ren, Weijie Wang, Haohao Feng, Wentao Li, Zongcheng Miao.  (2024)  Enhanced Circularly Polarized Green Luminescence Metrics from New Enantiopure Binary Tris-Pyrazolonate-Tb3+ Complexes.  MOLECULES,  29  (24): (5887).  [PMID:39769976] [10.3390/molecules29245887]

6. Yu Tian, Feiyao Huang, Di Zhu, Li Jiang, Qimin Jiang, Hongjun Yang, Wenyan Huang, Xiaoqiang Xue, Bibiao Jiang.  (2025)  Ultrahigh molecular weight branched polyhydroxyethyl methacrylate was synthesised at room temperature.  MATERIALS RESEARCH INNOVATIONS,      [PMID:] [10.1080/14328917.2025.2499519]