(Bromomethyl)cyclopropane - ≥97% , CAS No.7051-34-5

CAS: 7051-34-5 Cat. No.: B109676 Molecular Weight: 135 Beilstein Registry Number: 605296 EC Number: 230-331-8

GRADE & PURITY ≥97%

Synonyms

(Bromomethyl)cyclopropane, 97% | cyclopropyl-methylbromide | cyclopropylmethyl-bromide | UNII-D8ZPP7X54B | (BROMO)(CYCLOPROPYL)METHANE | (bromomethyl) cyclopropane | 1-bromomethylcyclopropane | 1-bromomethyl-cyclopropane | bromocyclopropylmethane | bromom

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

The coupling reaction of (bromomethyl)cyclopropane with phenylmagnesium bromide was studied.

(Bromomethyl)cyclopropane is used in the synthesis of 1,4-dienes by iron-catalyzed cross-coupling with alkenyl Grignard reagents. It has been used as a synthetic building block for the introduction of the cyclopropylmethyl group.

Specifications

Synonyms

(Bromomethyl)cyclopropane, 97% | cyclopropyl-methylbromide | cyclopropylmethyl-bromide | UNII-D8ZPP7X54B | (BROMO)(CYCLOPROPYL)METHANE | (bromomethyl) cyclopropane | 1-bromomethylcyclopropane | 1-bromomethyl-cyclopropane | bromocyclopropylmethane | bromom

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC1CBr
• IUPAC Name: bromomethylcyclopropane
• InChIKey: AEILLAXRDHDKDY-UHFFFAOYSA-N
• INCHI: 1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
• Isomeric SMILES: C1CC1CBr
• WGK Germany: 3
• UN Number: 1993
• Molecular Weight: 135
• Beilstein: 605296
• Reaxy-Rn: 605296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605296&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine 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

• Solubility: Not miscible in water.
• Sensitivity: Heat Sensitive
• Refractive Index: 1.475-1.479
• Flash Point(°F): 105.8 °F
• Flash Point(°C): 41 °C
• Boil Point(°C): 102-108°C
• Molecular Weight: 135.000 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 133.973 Da
• Monoisotopic Mass: 133.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.600
• 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. Xin Bao, Chunhong Wang, Zhenyu Zhang, Qinghua Cao, Fei Liu, Jing Chen, Chuanzhi Zhang, Haining Na, Jin Zhu.  (2021)  Wet spinning to prepare filaments from three cellulose carbonated derivatives: Synthesis, characterization and filament properties.  Carbohydrate Polymer Technologies and Applications,      [PMID:] [10.1016/j.carpta.2021.100099]