1,1-dibromo-2,2-bis(chloromethyl)cyclopropane - ≥97% , CAS No.98577-44-7

CAS: 98577-44-7 Cat. No.: D178603 Molecular Weight: 296.815 EC Number: 627-508-0

GRADE & PURITY ≥97%

Synonyms

PB48541 | BCP18375 | 1,1-dibromo-2.2-bis(chloromethyl)cyclopropane | AKOS000267676 | 1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane, 90%, technical grade | 1,1-Bis(chloromethyl)-2,2-dibromocyclopropane | EN300-172595 | 1,1-Dibromo-2,2-bis(chloromethyl)cycl

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane is a halogenated cyclopropane derivative. It has been reported to be synthesized from 3-chloro-2-(chloromethyl)-1-propene. It is formed as an intermediate during the synthesis of [1.1.1]propellane by Szeimies method.

Specifications

Synonyms

PB48541 | BCP18375 | 1, 1-dibromo-2.2-bis(chloromethyl)cyclopropane | AKOS000267676 | 1, 1-Dibromo-2, 2-bis(chloromethyl)cyclopropane, 90%, technical grade | 1, 1-Bis(chloromethyl)-2, 2-dibromocyclopropane | EN300-172595 | 1, 1-Dibromo-2, 2-bis(chloromethyl)cycl

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488190173
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190173
• Canonical Smiles: C1C(C1(Br)Br)(CCl)CCl
• IUPAC Name: 1,1-dibromo-2,2-bis(chloromethyl)cyclopropane
• InChIKey: RCRVZCIUKQNOIS-UHFFFAOYSA-N
• INCHI: 1S/C5H6Br2Cl2/c6-5(7)1-4(5,2-8)3-9/h1-3H2
• Isomeric SMILES: C1C(C1(Br)Br)(CCl)CCl
• Molecular Weight: 296.815
• Reaxy-Rn: 3587600
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587600&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 homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Organobromide - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic homomonocyclic 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: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 48-50 °C
• Molecular Weight: 296.810 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 295.819 Da
• Monoisotopic Mass: 293.821 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 120.000
• 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