4-Chloro-1-[4-(1-Methylethyl)Phenyl]-1-Butanone
[CAS# 70289-38-2]

Identification

• Name: 4-Chloro-1-[4-(1-Methylethyl)Phenyl]-1-Butanone
• Synonyms: 4-Chloro-1-(4-Isopropylphenyl)Butan-1-One; 1-Butanone, 4-Chloro-1-[4-(1-Methylethyl)Phenyl]-
• Molecular Formula: C₁₃H₁₇ClO
• Molecular Weight: 224.73
• CAS Registry Number: 70289-38-2
• EINECS: 274-544-4
• SMILES: C1=C(C(CCCCl)=O)C=CC(=C1)C(C)C
• InChI: 1S/C13H17ClO/c1-10(2)11-5-7-12(8-6-11)13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3
• InChIKey: BGOQEVLEIPPQID-UHFFFAOYSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 337.86°C at 760 mmHg (Cal.)
• Flash point: 194.187°C (Cal.)

References

• (1): H. G. Anilkumar, T. Vijay, H. S. Yathirajan, T. Narasimhamurthy and R. S. Rathore. 4-tert-Butyl-[gamma]-chlorobutyrophenone, Acta Cryst. (2005). E61, o3332-o3333