Dibromomethane - ≥99% , CAS No.74-95-3

CAS: 74-95-3 Cat. No.: D104768 Formula: CH₂Br₂ Molecular Weight: 173.83 Beilstein Registry Number: 969143 EC Number: 200-824-2

GRADE & PURITY ≥99%

Synonyms

Methylene bromide

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Dibromomethane may be used for the cyclopropanation of alkenes via Simmons-Smith type reaction. It may also be used in a novel methodology for the preparation of reaction intermediates such as α-substituted acroleins, α-methylene esters, α-keto esters, α-methylene lactones, α-methylene lactams, and α-keto lactones.

Specifications

Synonyms

Methylene bromide

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

504750625

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750625

Canonical Smiles

C(Br)Br

IUPAC Name

dibromomethane

InChIKey

FJBFPHVGVWTDIP-UHFFFAOYSA-N

INCHI

1S/CH2Br2/c2-1-3/h1H2

Isomeric SMILES

C(Br)Br

WGK Germany

1

UN Number

2664

Packing Group

III

Molecular Weight

173.83

Beilstein

969143

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Halomethanes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halomethane - Hydrocarbon derivative - Organobromide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as halomethanes. These are organic compounds in which at least one of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• External Descriptors: one-carbon compound - bromomethanes

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: Soluble in water (12.5 mg/ml at 20 °C), chloroform, acetone, ether, and alcohol.
• Sensitivity: Light and air sensitive
• Refractive Index: 1.54
• Flash Point(°F): 51.8℉
• Flash Point(°C): 11°C
• Boil Point(°C): 97 °C
• Molecular Weight: 173.830 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 173.85 Da
• Monoisotopic Mass: 171.852 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74-95-3, the molecular formula is CH2Br2, and the molecular weight is 173.83 g/mol. InChIKey FJBFPHVGVWTDIP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.