2,3,4,5,6-Pentafluorobenzyl bromide - for GC derivatization, ≥99% , CAS No.1765-40-8

CAS: 1765-40-8 Cat. No.: P106718 Peso molecular: 260.99 Beilstein Registry Number: 647808 Número EC: 217-182-4

GRADE & PURITY for GC derivatization, ≥99%

Synonyms

1765-40-8|2,3,4,5,6-Pentafluorobenzyl bromide|Pentafluorobenzyl bromide|1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzene|alpha-Bromo-2,3,4,5,6-pentafluorotoluene|(Bromomethyl)pentafluorobenzene|1-Bromomethylpentafluorobenzene|BENZENE, (BROMOMETHYL)PENTAFLUORO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1765-40-8 | 2, 3, 4, 5, 6-Pentafluorobenzyl bromide | Pentafluorobenzyl bromide | 1-(Bromomethyl)-2, 3, 4, 5, 6-pentafluorobenzene | alpha-Bromo-2, 3, 4, 5, 6-pentafluorotoluene | (Bromomethyl)pentafluorobenzene | 1-Bromomethylpentafluorobenzene | BENZENE, (BROMOMETHYL)PENTAFLUORO

Especificaciones y pureza

for GC derivatization, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Grado

for GC derivatization

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
• IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
• InChIKey: XDEPVFFKOVDUNO-UHFFFAOYSA-N
• INCHI: 1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
• Isómeros SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
• WGK Alemania: 3
• Número ONU: 3265
• Grupo de embalaje: II
• Peso molecular: 260.99
• Beilstein: 647808
• Reaxy-Rn: 647808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=647808&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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: Hydrolyzes in water.
• Sensibilidad: Moisture sensitive
• Punto de congelación (°C): 18 °C
• Índice de refracción: 1.471
• Punto de inflamación (°F): 181.4℉
• Punto de inflamación (°C): 83℃
• Punto de ebullición (°C): 174-175°C
• Punto de fusión (°C): 19-20°C
• Peso molecular: 260.990 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 259.926 Da
• Monoisotopic Mass: 259.926 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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. Zhichun Zhang, Mingkai Xu, Lei Wang, Wu Gu, Xiang Li, Zhiyang Han, Xuanhe Fu, Xiujuan Wang, Xu Li, Zhencheng Su.  (2023)  Continuous oral exposure to micro- and nanoplastics induced gut microbiota dysbiosis, intestinal barrier and immune dysfunction in adult mice.  ENVIRONMENT INTERNATIONAL,      [PMID:38035535] [10.1016/j.envint.2023.108353]

2. Wu Gu, Huiwen Zhang, Zhichun Zhang, Mingkai Xu, Xiang Li, Zhiyang Han, Xuanhe Fu, Xu Li, Xiujuan Wang, Chenggang Zhang.  (2024)  Continuous Oral Administration of the Superantigen Staphylococcal Enterotoxin C2 Activates Intestinal Immunity and Modulates the Gut Microbiota in Mice.  Advanced Science,      [PMID:39248343] [10.1002/advs.202405039]

3. Zhang Wanjun, Tang Yutong, Fan Ruiqi, Zhang Fude, Li Yongchen, Zang Jianjun, Yang Wenjun, Wang Zongyi, Yuan Xiaoyan, Yang Yuan, Chen Yiqiang.  (2024)  Effects of the pesticide carbendazim on broiler chicken health and carbendazim residue levels in broiler tissues.  VETERINARY RESEARCH COMMUNICATIONS,      [PMID:39093528] [10.1007/s11259-024-10484-z]

4. Jingna Cui, Yimu Wei, Jiangong Jiang, Shouchun Xiao, Xueke Liu, Zhiqiang Zhou, Donghui Liu, Peng Wang.  (2023)  Bioaccumulation, metabolism and toxicological effects of chiral insecticide malathion and its metabolites in zebrafish (Danio rerio).  CHEMOSPHERE,      [PMID:36702415] [10.1016/j.chemosphere.2023.137898]

5. Hongxu Zhou, Qing Jiang, Xin He, Xian Fu, Jun-Yan Liu.  (2024)  A complementary method with PFBBr-derivatization based on GC-EI-MS platform for the simultaneous quantitation of short-, medium- and long -chain fatty acids in murine plasma and feces samples.  Analytical Methods,      [PMID:38562090] [10.1039/D3AY02271D]