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CAS RN: 431-35-6 | Product Number: B1240

1-Bromo-3,3,3-trifluoroacetone


Purity: >95.0%(GC)
Synonyms:
  • 3-Bromo-1,1,1-trifluoroacetone
  • 1-Bromo-3,3,3-trifluoro-2-propanone
  • 3-Bromo-1,1,1-trifluoro-2-propanone
Documents:
5G
$38.00
1   1   ≥80 
25G
$105.00
1   3   ≥60 

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Product Number B1240
Purity / Analysis Method >95.0%(GC)
Molecular Formula / Molecular Weight C__3H__2BrF__3O = 190.95 
Physical State (20 deg.C) Liquid
CAS RN 431-35-6
Reaxys Registry Number 1703387
PubChem Substance ID 87564176
SDBS (AIST Spectral DB) 18397
MDL Number

MFCD00039237

Specifications
Appearance Colorless to Light yellow to Light orange clear liquid
Purity(GC) min. 95.0 %
Properties (reference)
Boiling Point 88 °C
Flash point 5 °C
Specific Gravity (20/20) 1.82
Refractive Index 1.37
Solubility in water Soluble
GHS
Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H314 : Causes severe skin burns and eye damage.
H225 : Highly flammable liquid and vapor.
Precautionary Statements P501 : Dispose of contents/ container to an approved waste disposal plant.
P240 : Ground/bond container and receiving equipment.
P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.
P233 : Keep container tightly closed.
P243 : Take precautionary measures against static discharge.
P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.
P242 : Use only non-sparking tools.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.
P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.
P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P363 : Wash contaminated clothing before reuse.
P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.
P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.
P403 + P235 : Store in a well-ventilated place. Keep cool.
P405 : Store locked up.
Related Laws:
Transport Information:
UN Number (DOT-AIR) UN2924
Class (DOT-AIR) 3/8
Packing Group (TCI-A) II
HS Number 2914.79.9000
Application
TCI Practical Example: Thiazole Ring Construction Reaction Using 1-Bromo-3,3,3-trifluoroacetone

TCI Practical Example: Thiazole Ring Construction Reaction Using 1-Bromo-3,3,3-trifluoroacetone

Used Chemicals

Procedure

1-Bromo-3,3,3-trifluoroacetone (0.252 mL, 2.4 mmol, 1.2 eq.) was added to a ethanol (20 mL) solution of thiobenzamide (274 mg, 2.0 mmol) at room temperature and the mixture was refluxed for 4 hours. Then the solvent was removed under reduced pressure. Toluene (20 mL) and TsOH·H2O (190 mg, 1.0 mmol, 0.5 eq.) were added to the residue and refluxed for overnight. After that the solvent was removed under reduced pressure and the residue was purified by column chromatography (on silica gel, ethyl acetate:hexane = 0:1 - 1:10) to give 2-phenyl-4-(trifluoromethyl)thiazole as a pale yellow solid (387 mg, 84% yield).

Experimenter’s Comments

The reaction mixture was monitored by UPLC.

Analytical Data

2-Phenyl-4-(trifluoromethyl)thiazole (1)

1H NMR (400 MHz, CDCl3); δ 7.99-7.97 (m, 2H), 7.74 (s, 1H), 7.49-7.46 (m, 3H).

Lead Reference


PubMed Literature


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