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CS-W001157 4
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2-bromo-1-(4-ethylphenyl)-2-methylpropan-1-one

  • CAS No. 698394-60-4

  • Cat. No. CS-0001450
  • Molecule weight255.15
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-bromo-1-(4-ethylphenyl)-2-methylpropan-1-one|CS-0001450

Structure of 698394-60-4

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General Information

  • CAS No. 698394-60-4
  • Cat. No. CS-0001450
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BrO
  • Molecular Weight 255.15
  • Synonym(s) 2-bromo-1-(4-ethylphenyl)-2-methylpropane-1-one
  • SMILES O=C(C(C=C1)=CC=C1CC)C(C)(C)Br

Synthesis

  • Route1

    References

    • Fox, Brian M.; Sugimoto, Kazuyuki; Iio, Kiyosei; Yoshida, Atsuhito; Zhang, Jian; Li, Kexue; Hao, Xiaolin; Labelle, Marc; Smith, Marie-Louise; Rubenstein, Steven M.; Ye, Guosen; McMinn, Dustin; Jackson, Simon; Choi, Rebekah; Shan, Bei; Ma, Ji; Miao, Shichang; Matsui, Takuya; Ogawa, Nobuya; Suzuki, Masahiro; Kobayashi, Akio; Ozeki, Hidekazu; Okuma, Chihiro; Ishii, Yukihito; Tomimoto, Daisuke; Furakawa, Noboru; Tanaka, Masahiro; Matsushita, Mutsuyoshi; Takahashi, Mitsuru; Inaba, Takashi; Sagawa, Shoichi; Kayser, Frank Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3464 - 3483

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.6052
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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