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HomeProduct name list3-Bromo-1,1,1-trifluoroacetone

3-Bromo-1,1,1-trifluoroacetone

  • CAS NO.:431-35-6
  • Empirical Formula: C3H2BrF3O
  • Molecular Weight: 190.95
  • MDL number: MFCD00039237
  • EINECS: 207-071-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-15 19:19:13
3-Bromo-1,1,1-trifluoroacetone  Structural

What is 3-Bromo-1,1,1-trifluoroacetone ?

Chemical properties

clear colorless to yellowish liquid

The Uses of 3-Bromo-1,1,1-trifluoroacetone

3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:

  • 3-nonylthio-1,1,1-trifluoropropan-2-one
  • cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group
  • perfluoroalkylated trans-allylic alcohols

The Uses of 3-Bromo-1,1,1-trifluoroacetone

1-Bromo-3,3,3-trifluoroacetone is used in the preparation of 3-nonylthio-1,1,1-trifluoropropan-2-one and perfluoroalkylated trans-allylic alcohols. It is involved in the synthesis of cyclic tetrapeptides. Further, it reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to produce ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

General Description

3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

Properties of 3-Bromo-1,1,1-trifluoroacetone

Melting point: <-80°C
Boiling point: 87 °C/743 mmHg (lit.)
Density  1.839 g/mL at 25 °C (lit.)
refractive index  n20/D 1.376(lit.)
Flash point: 41 °F
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
form  Liquid
color  Clear colorless to yellow
Specific Gravity 1.839
Water Solubility  Immiscible with water.
Sensitive  Lachrymatory
BRN  1703387
CAS DataBase Reference 431-35-6(CAS DataBase Reference)
NIST Chemistry Reference 1-Bromo-3,3,3-trifluoroacetone(431-35-6)

Safety information for 3-Bromo-1,1,1-trifluoroacetone

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H225:Flammable liquids
H314:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-Bromo-1,1,1-trifluoroacetone

InChIKey ONZQYZKCUHFORE-UHFFFAOYSA-N

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