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

CAS: 107-04-0 Cat. No.: B106996 Molecular Weight: 143.41 Beilstein Registry Number: 605265 EC Number: 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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Overview

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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180585
• Canonical Smiles: C(CBr)Cl
• IUPAC Name: 1-bromo-2-chloroethane
• InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N
• INCHI: 1S/C2H4BrCl/c3-1-2-4/h1-2H2
• Isomeric SMILES: C(CBr)Cl
• WGK Germany: 3
• RTECS: KH6500000
• UN Number: 2996
• Packing Group: III
• Molecular Weight: 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
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Difficult to dissolve in water, but miscible with ethanol, ether, carbon tetrachloride, etc.
• Sensitivity: Light sensitive
• Freezing Point(°C): -17 °C
• Refractive Index: 1.49-1.492
• Boil Point(°C): 106-107°C
• Melt Point(°C): -17°C
• Molecular Weight: 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

References

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]