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HomeProduct name list3-(Trifluoromethyl)benzoyl chloride

3-(Trifluoromethyl)benzoyl chloride

Synonym(s):α,α,α-Trifluoro-m-toluoyl chloride

  • CAS NO.:2251-65-2
  • Empirical Formula: C8H4ClF3O
  • Molecular Weight: 208.57
  • MDL number: MFCD00000680
  • EINECS: 218-844-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-10-23 11:10:09
3-(Trifluoromethyl)benzoyl chloride Structural

What is 3-(Trifluoromethyl)benzoyl chloride?

Chemical properties

clear light yellow liquid

The Uses of 3-(Trifluoromethyl)benzoyl chloride

3-(Trifluoromethyl)benzoyl chloride has been used in the preparation of intermediates, required for synthesis of C-2 and C-3 substituted pyrazolo[1,5-a]pyrimidines.

Properties of 3-(Trifluoromethyl)benzoyl chloride

Boiling point: 184-186 °C/750 mmHg (lit.)
Density  1.383 g/mL at 25 °C (lit.)
refractive index  n20/D 1.477(lit.)
Flash point: >230 °F
form  Liquid
color  Clear light yellow
Specific Gravity 1.383
Water Solubility  decomposes
Sensitive  Lachrymatory
BRN  391266
InChI InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H
CAS DataBase Reference 2251-65-2(CAS DataBase Reference)
NIST Chemistry Reference 3-(Trifluoromethyl)benzoyl chloride(2251-65-2)
EPA Substance Registry System Benzoyl chloride, 3-(trifluoromethyl)- (2251-65-2)

Safety information for 3-(Trifluoromethyl)benzoyl chloride

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
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.
P405:Store locked up.

Computed Descriptors for 3-(Trifluoromethyl)benzoyl chloride

InChIKey RUJYJCANMOTJMO-UHFFFAOYSA-N
SMILES C(Cl)(=O)C1=CC=CC(C(F)(F)F)=C1

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