Dibromofluoromethane solution - ≥95% , CAS No.1868-53-7

CAS: 1868-53-7 Cat. No.: D189056 Molecular Weight: 191.83 EC Number: 700-410-6

GRADE & PURITY ≥95%

Synonyms

UNII-B0517W9BLP | Methane, dibromofluoro- | Dibromofluoromethane(FC-21B2) | dibromo(fluoro)methane | DIBROMOFLUOROMETHANE | dibromo-fluoro-methane | B0517W9BLP | Dibromo fluoro methane

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

UNII-B0517W9BLP | Methane, dibromofluoro- | Dibromofluoromethane(FC-21B2) | dibromo(fluoro)methane | DIBROMOFLUOROMETHANE | dibromo-fluoro-methane | B0517W9BLP | Dibromo fluoro methane

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488183473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183473
• Canonical Smiles: C(F)(Br)Br
• IUPAC Name: dibromo(fluoro)methane
• InChIKey: LTUTVFXOEGMHMP-UHFFFAOYSA-N
• INCHI: 1S/CHBr2F/c2-1(3)4/h1H
• Isomeric SMILES: C(F)(Br)Br
• Molecular Weight: 191.83
• Reaxy-Rn: 1697007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697007&ln=

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: Trihalomethanes
• Alternative Parents: Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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

• Molecular Weight: 191.820 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 191.841 Da
• Monoisotopic Mass: 189.843 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 13.500
• 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