Propionyl bromide - ≥95% , CAS No.598-22-1

CAS: 598-22-1 Cat. No.: P107847 Summenformel: C₃H₅BrO Molekulargewicht: 136.98 Beilstein Registry Number: 1736651 EG-Nummer: 209-924-0

GRADE & PURITY ≥95%

Synonyms

Propionyl bromide | SCHEMBL35764 | BCP28227 | DTXSID80208527 | propanyl bromide | EINECS 209-924-0 | Propanoyl-bromide- | AKOS015839596 | P0515 | Propanoyl bromide | MFCD00000116 | RIBFXMJCUYXJDZ-UHFFFAOYSA- | InChI=1/C3H5BrO/c1-2-3(4)5/h2H2,1H3 | Propion

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

Propionyl bromide | SCHEMBL35764 | BCP28227 | DTXSID80208527 | propanyl bromide | EINECS 209-924-0 | Propanoyl-bromide- | AKOS015839596 | P0515 | Propanoyl bromide | MFCD00000116 | RIBFXMJCUYXJDZ-UHFFFAOYSA- | InChI=1/C3H5BrO/c1-2-3(4)5/h2H2,1H3 | Propion

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 508811718
• Kanonisches Lächeln: CCC(=O)Br
• IUPAC Name: propanoyl bromide
• InChIKey: RIBFXMJCUYXJDZ-UHFFFAOYSA-N
• INCHI: 1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3
• Isomere SMILES: CCC(=O)Br
• WGK Deutschland: 3
• Molekulargewicht: 136.98
• Beilstein: 1736651
• Reaxy-Rn: 1736651
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736651&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Acyl halides
• Subclass: Acyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl bromides
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acyl bromides. These are organic compounds containing the functional group -CO-Br.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ether.
• Empfindlichkeit: Light and Moisture sensitive
• Brechungsindex: 1.455
• Flammpunkt (°F): 125.6 °F
• Flammpunkt (°C): 52 °C
• Siedepunkt (°C): 103-104 °C
• Molekulargewicht: 136.980 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.952 Da
• Monoisotopic Mass: 135.952 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.200
• 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

Referenzen

1. Sikai Chen, Qing-Yang Feng, Dong Li, Fei Song, Xiu-Li Wang, Yu-Zhong Wang.  (2023)  Effects of Grafting Structure on 1D One-Component Composites: An Example of Surface-Grafted Cellulose Nanofibers.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c00476]

2. Haimo Zhang, Min Zuo, Xinyue Zhang, Xuanyu Shi, Li Yang, Shihao Sun, Jun Zhong, Yihu Song, Qiang Zheng.  (2021)  Effect of agglomeration on the selective distribution of nanoparticles in binary polymer blends.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2021.106590]

3. Haimo Zhang, Min Zuo, Weipu Zhu, An Zhao, Xuanyu Shi, Xinyue Zhang, Yihu Song, Qiang Zheng.  (2020)  Control of selective location of homopolymer-brush grafted nanoparticles in binary polymer blends.  COMPOSITES SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.compscitech.2020.108439]