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HomeProduct name list4'-tert-Butyl-4-chlorobutyrophenone

4'-tert-Butyl-4-chlorobutyrophenone

  • CAS NO.:43076-61-5
  • Empirical Formula: C14H19ClO
  • Molecular Weight: 238.75
  • MDL number: MFCD00018996
  • EINECS: 256-077-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2025-02-26 16:11:14
4'-tert-Butyl-4-chlorobutyrophenone Structural

What is 4'-tert-Butyl-4-chlorobutyrophenone?

Chemical properties

White to very slightly yellow powder

The Uses of 4'-tert-Butyl-4-chlorobutyrophenone

1-(4-tert-Butylphenyl)-4-chloro-1-butanone, is the starting material in the synthesis of Terfenadine (T114500).

Properties of 4'-tert-Butyl-4-chlorobutyrophenone

Melting point: 47-49 °C(lit.)
Boiling point: 152 °C (1 mmHg)
Density  1.0292 (rough estimate)
refractive index  1.5260 (estimate)
Flash point: 152-155°C/1mm
storage temp.  Inert atmosphere,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
color  White to Light yellow
BRN  780343
InChI InChI=1S/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3
CAS DataBase Reference 43076-61-5(CAS DataBase Reference)

Safety information for 4'-tert-Butyl-4-chlorobutyrophenone

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
ghs
Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H319:Serious eye damage/eye irritation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 4'-tert-Butyl-4-chlorobutyrophenone

InChIKey RLKSQLJFGCDUOX-UHFFFAOYSA-N
SMILES C(C1=CC=C(C(C)(C)C)C=C1)(=O)CCCCl

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