502457-70-7

Basic information

• Product Name: 1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE
• Synonyms: 1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE;1-CHLORO-3,4-DIBROMO-3,4,4-TRIFLUOROBUTANE
• CAS NO: 502457-70-7
• Molecular Formula: C4H4Br2ClF3
• Molecular Weight: 304.33
• Mol File: 502457-70-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 173.5 °C at 760 mmHg
• Flash Point: 58.7 °C
• Appearance: /
• Density: 2.045 g/cm³
• Vapor Pressure: 1.69mmHg at 25°C
• Refractive Index: 1.467
• CAS DataBase Reference: 1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE(502457-70-7)
• EPA Substance Registry System: 1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE(502457-70-7)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 502457-70-7(Hazardous Substances Data)

Usage

General Description

1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE, also known as Halothane, is a chemical compound that is primarily used as a general anesthetic. It belongs to the class of organic compounds known as haloalkanes, which are organic compounds in which one or more carbon atoms are linked by single covalent bonds with halogens such as fluorine, chlorine, bromine, or iodine. This chemical is a colorless, nonflammable, highly volatile liquid with a characteristic odor, and it has been used as an inhalation anesthetic in both human and veterinary medicine. However, due to its potential for liver damage, it has largely been replaced by safer alternatives in medical practice. In addition, it is also known to have an ozone depletion potential, contributing to environmental concerns.

InChI:InChI=1/C4H4Br2ClF3/c5-3(8,1-2-7)4(6,9)10/h1-2H2

Upstream product

• 235106-11-3 4-chloro-1,1,2-trifluorobut-1-ene 
• 10493-44-4 1,1,2-trifluoro-4-bromobut-1-ene 

Relevant articles and documents

Rearrangement of 3-membered 1,1,2-trifluorobromonium and iodonium ions and comparison of trifluorochloronium to fluorocarbenium ions

(Chemical Equation Presented) Reactions of chlorine (Cl2) with 4-halo-1,1,2-trifluorobut-1-enes (1, 2, or 3) give open-ion intermediates A and E that are in equilibrium. The open-chloronium ions (E) rearrange to a five-membered-ring halonium ion during ionic chlorination of 3 when the number-4 halo-substituent is iodine. Three-membered-ring bromonium and iodonium ions from alkenes 1, 2, or 3 are rather symmetrical and similar in structure. Quantum chemical calculations show that five-membered-ring halonium ion intermediates are 11 to 27 kcal/mol more stable than the three-membered-ring halonium ions or the open-ions A and E. The five-membered-ring intermediates lead to rearranged products. Rearranged products increase as the number-4 halogen (Z) becomes more nucleophilic (Z: Cl Br I). Open chloronium ions from ionic chlorination of terminal fluorovinyl alkenes are compared to the open ions generated by protons to similar alkenes.