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4'-tert-Butyl-4-chlorobutyrophenone

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4'-tert-Butyl-4-chlorobutyrophenone Basic information

Product Name:
4'-tert-Butyl-4-chlorobutyrophenone
Synonyms:
  • 4'-tert-Butyl-4-chlo
  • tert-Butyl-4-chlorobutyrophe
  • 4-TERBUTYL-GAMMA-CHLOROBUTYROPHENONE
  • 4-CHLORO-1-[4-(1,1-DIMETHYLETHYL)PHENYL]-1-BUTANONE
  • 4-Chloro-1-[4-(tert-butyl)phenyl]-1-butanone
  • 4'-TERT-BUTYL-4-CHLOROBUTYROPHENONE
  • 4-TERT-BUTYL-GAMMA-CHLOROBUTYROPHENONE
  • 4-CHLORO-1-[4-(1,1-DIMETHYLPHENYL)PHENYL]-1-BUTANONE
CAS:
43076-61-5
MF:
C14H19ClO
MW:
238.75
EINECS:
256-077-8
Product Categories:
  • BUILDING BLOCKS
  • C13 to C14
  • Carbonyl Compounds
  • Ketones
Mol File:
43076-61-5.mol
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4'-tert-Butyl-4-chlorobutyrophenone Chemical Properties

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
InChIKey
RLKSQLJFGCDUOX-UHFFFAOYSA-N
SMILES
C(C1=CC=C(C(C)(C)C)C=C1)(=O)CCCCl
CAS DataBase Reference
43076-61-5(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn,N
Risk Statements 
22-41-43-51/53
Safety Statements 
26-36/37/39-61-7/8-24/25
RIDADR 
UN 3077 9/PG 3
WGK Germany 
2
HS Code 
2914790090

MSDS

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4'-tert-Butyl-4-chlorobutyrophenone Usage And Synthesis

Chemical Properties

White to very slightly yellow powder

Uses

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

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