Bromotrichloromethane - ≥97% , CAS No.75-62-7

CAS: 75-62-7 Cat. No.: B139244 Formula: BrCCl₃ Molecular Weight: 198.27 Beilstein Registry Number: 1732543 EC Number: 200-886-0

GRADE & PURITY ≥97%

Synonyms

AKOS015833938 | Bromotrichloromethane, 99% | BR1357 | Tox21_303534 | B0662 | bromo trichloromethane | BROMOTRICHLOROMETHANE [HSDB] | CBrCl3 | AS-57509 | NCGC00249206-01 | NSC 8017 | Trichloromethyl bromide | Q23780617 | Caswell No. 118 | Methane, bromotri

Storage

Room temperature

Shipped In

Normal

Overview

A chain transfer agent for radical polymerization of methacrylates. Brominating reagent. Reagent for the bromination of active hydrogen compounds. Used for the preparation of a dichloromethylenephosphorane, a Wittig reagent.

Specifications

Synonyms

AKOS015833938 | Bromotrichloromethane, 99% | BR1357 | Tox21_303534 | B0662 | bromo trichloromethane | BROMOTRICHLOROMETHANE [HSDB] | CBrCl3 | AS-57509 | NCGC00249206-01 | NSC 8017 | Trichloromethyl bromide | Q23780617 | Caswell No. 118 | Methane, bromotri

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180060
• Canonical Smiles: C(Cl)(Cl)(Cl)Br
• IUPAC Name: bromo(trichloro)methane
• InChIKey: XNNQFQFUQLJSQT-UHFFFAOYSA-N
• INCHI: 1S/CBrCl3/c2-1(3,4)5
• Isomeric SMILES: C(Cl)(Cl)(Cl)Br
• WGK Germany: 3
• RTECS: PA5400000
• Molecular Weight: 198.27
• Beilstein: 1732543
• Reaxy-Rn: 1732543
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732543&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: Halomethanes
• Alternative Parents: Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halomethane - Hydrocarbon derivative - Organochloride - Organobromide - Alkyl chloride - 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: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix in water.
• Refractive Index: 1.506
• Boil Point(°C): 104°C
• Melt Point(°C): -6°C
• Molecular Weight: 198.270 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.825 Da
• Monoisotopic Mass: 195.825 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 28.400
• 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