1-Bromo-2-chloroethane - ≥98% , CAS No.107-04-0

CAS: 107-04-0 Cat. No.: B106996 Peso molecular: 143.41 Beilstein Registry Number: 605265 Número EC: 203-456-0

GRADE & PURITY ≥98%

Synonyms

1-BROMO-2-CHLOROETHANE | 1-bromo-2-chloro-ethane | 4-01-00-00155 (Beilstein Handbook Reference) | beta-Chloroethyl bromide | 1-bromo 2-chloro ethane | NCGC00259275-01 | Tox21_201726 | 1-BROMO-2-CHLOROETHANE [HSDB] | D95298 | B0572 | EPA Pesticide Chemical

Storage

Room temperature

Shipped In

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Descripción general

Dissociative double ionization and multi-photon ionization of 1-bromo-2-chloroethane (BCE) irradiated by the 800nm femtosecond laser field has been investigated by dc-slice imaging technology. Conformational properties of BCE in several zeolites such as silicalite-1, siliceous Y, Na-Y and zeolite L have been investigated by FT-Raman spectroscopy.
1-Bromo-2-chloroethane was used in regio- and diastereoselective synthesis of 2-alkylidenetetrahydrofurans.

Specifications

Sinónimos

1-BROMO-2-CHLOROETHANE | 1-bromo-2-chloro-ethane | 4-01-00-00155 (Beilstein Handbook Reference) | beta-Chloroethyl bromide | 1-bromo 2-chloro ethane | NCGC00259275-01 | Tox21_201726 | 1-BROMO-2-CHLOROETHANE [HSDB] | D95298 | B0572 | EPA Pesticide Chemical

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180585
• Sonrisas canónicas: C(CBr)Cl
• IUPAC Name: 1-bromo-2-chloroethane
• InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N
• INCHI: 1S/C2H4BrCl/c3-1-2-4/h1-2H2
• Isómeros SMILES: C(CBr)Cl
• WGK Alemania: 3
• RTECS: KH6500000
• Número ONU: 2996
• Grupo de embalaje: III
• Peso molecular: 143.41
• Beilstein: 605265
• Reaxy-Rn: 605265
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605265&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Organobromide - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• External Descriptors: bromoalkane - chloroalkane

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

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Difficult to dissolve in water, but miscible with ethanol, ether, carbon tetrachloride, etc.
• Sensibilidad: Light sensitive
• Punto de congelación (°C): -17 °C
• Índice de refracción: 1.49-1.492
• Punto de ebullición (°C): 106-107°C
• Punto de fusión (°C): -17°C
• Peso molecular: 143.410 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 141.918 Da
• Monoisotopic Mass: 141.918 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.000
• 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. Dawei Luo, Jian Zhang, Yu Liang, Jianling Ni, Fangming Wang, Wei Liu.  (2021)  New Copper Bromide Organic-Inorganic Hybrid Molecular Compounds with Anionic Inorganic Core and Cationic Organic Ligands.  Crystals,  12  (1): (19).  [PMID:] [10.3390/cryst12010019]