CAS 43076-61-5: 4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone

Description: 4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone, with the CAS number 43076-61-5, is an organic compound characterized by its chlorinated ketone structure. It features a butanone backbone substituted with a chloro group and a bulky tert-butylphenyl moiety, which contributes to its hydrophobic properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its applications in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. The presence of the chloro group enhances its reactivity, making it useful in nucleophilic substitution reactions. Additionally, the steric hindrance provided by the tert-butyl group can influence its reactivity and selectivity in chemical reactions. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and disposal methods are essential to mitigate any risks associated with its use.

Formula: C₁₄H₁₉ClO

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

InChI key: InChIKey=RLKSQLJFGCDUOX-UHFFFAOYSA-N

SMILES: O=C(C1=CC=C(C=C1)C(C)(C)C)CCCCl

Synonyms:

• 1-(4-Tert-Butylphenyl)-4-Chlorobutan-1-One
• 1-(4-tert-Butylphenyl)-4-chloro-1-butanone
• 1-Butanone, 4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
• 4-Chloro-1-[4-(1,1-Dimethylethyl)Phenyl]-1-Butanone
• 4-Chloro-1-[4-(1,1-Dimethylphenyl)Phenyl]-1-Butanone
• 4-Chloro-1-[4-(tert-butyl)phenyl]-1-butanone
• 4-Chloro-4′-tert-butylbutyrophenone
• 4-Terbutyl-Gamma-Chlorobutyrophenone
• 4-Tert-Butyl-Gamma-Chlorobutyrophenone
• 4-t-Butyl-γ-Chlorobutyrophenone
• Butyrophenone, 4′-tert-butyl-4-chloro-
• p-tert-Butyl-ω-chlorobutyrophenone
• 4′-tert-Butyl-4-chlorobutyrophenone
• 4-Tert butyl-4-chlorobutyrophenone

4'-tert-Butyl-4-chlorobutyrophenone

CAS: 43076-61-5

• Formula: C₁₄H₁₉ClO
• Purity: >95.0%(GC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 238.76

1-Butanone, 4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-

CAS: 43076-61-5

• Formula: C₁₄H₁₉ClO
• Purity: 96%
• Color and Shape: Solid
• Molecular weight: 238.7531

4'-tert-Butyl-4-chlorobutyrophenone

CAS: 43076-61-5

• Purity: 96%
• Color and Shape: Off-White Solid
• Molecular weight: 238.75g/mol

1-(4-tert-Butylphenyl)-4-chloro-1-butanone

CAS: 43076-61-5

• Formula: C₁₄H₁₉ClO
• Color and Shape: Beige To Dark Yellow
• Molecular weight: 238.75

1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one

CAS: 43076-61-5

• Purity: 95.0%
• Molecular weight: 238.75999450683594

4'-tert-Butyl-4-chlorobutyrophenone

CAS: 43076-61-5

4'-tert-Butyl-4-chlorobutyrophenone is a butyrophenone that has potent antitumor activity. It binds to dopamine receptors, which …

• Formula: C₁₄H₁₉ClO
• Purity: Min. 95%
• Molecular weight: 238.75 g/mol