B4388

2-Bromo-2-chloro-1,1,1-trifluoroethane

≥99%

• Synonym(s): Halothane
• Linear Formula: BrCH(Cl)CF₃
• CAS Number: 151-67-7
• Molecular Weight: 197.38
• Beilstein/REAXYS Number: 1736947
• EC Number: 205-796-5
• MDL number: MFCD00009602
• UNSPSC Code: 12352202
• PubChem Substance ID: 24891772
• NACRES: NA.77

Properties

• vapor pressure: 4.5 psi ( 20 °C)
• Quality Level: 200
• assay: ≥99%
• form: liquid
• contains: 0.01% thymol as stabilizer
• refractive index: n20/D 1.369 (lit.)
• bp: 50.2 °C (lit.)
• density: 1.872 g/mL at 25 °C (lit.)
• SMILES string: FC(F)(F)C(Cl)Br
• InChI: 1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
• InChI key: BCQZXOMGPXTTIC-UHFFFAOYSA-N
• Gene Information: human ... ATP5D(513), GABRA1(2554), GABRA2(2555), GABRA3(2556), GABRA4(2557), GABRA5(2558), GABRA6(2559), GABRB1(2560), GABRB2(2561), GABRB3(2562), GABRD(2563), GABRE(2564), GABRG1(2565), GABRG2(2566), GABRG3(2567), GABRP(2568), GABRQ(55879), GLRA1(2741), GLRB(2743), GRIA1(2890), KCNK10(54207), KCNK18(338567), KCNK2(3776), KCNK3(3777), KCNK9(51305), KCNN4(3783)

Description

Application

2-Bromo-2-chloro-1,1,1-trifluoroethane, or halothane, has been used in a study that combined molecular simulations with free energy simulations to study solvation of halothane in polarizable water and methanol. Halothane has also been used in a study to investigate the interaction of anesthetics with the Rho GTPase regulator Rho GDP dissociation inhibitor.

Biochem/physiol Actions

2-Bromo-2-chloro-1,1,1-trifluoroethane is an inhalation anesthetic. In an effect believed to be independent of anesthesia, halothane inhibits the synthesis of 5-hydroxytryptamine in brain tissue, probably at the tryptophan hydroxylase step.

Inhalation anesthetic.

Safety Information

• pictograms: GHS08,GHS05,GHS07
• signalword: Danger
• hcodes: H315,H318,H335,H360
• pcodes: P202 - P261 - P280 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Eye Dam. 1 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves