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3-Hydroxy-3-methylbutanenitrile

  • CAS No. 13635-04-6

  • Cat. No. CS-0154614
  • Molecule weight99.13
  • Purity≥98%
  • MDL No.MFCD00043123

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

3-Hydroxy-3-methylbutanenitrile|CS-0154614

Structure of 13635-04-6

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General Information

  • CAS No. 13635-04-6
  • Cat. No. CS-0154614
  • Purity ≥98%
  • MDL No. MFCD00043123
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO
  • Molecular Weight 99.13
  • Synonym(s) β-hydroxyisovaleronitrile
  • SMILES CC(C)(CC#N)O

Synthesis

  • Route1
    • In-stock
      1-Chloro-2-methyl-2-propanol|CS-0030576
      558-42-9
    • null|null
      143-33-9
    • ~90%
    • In-stock
      3-Hydroxy-3-methylbutanenitrile|CS-0154614
      13635-04-6

    References

    • PFIZER JAPAN INC.; PFIZER INC. Patent: WO2006/97808 A1, 2006 ; Location in patent: Page/Page column 71 ; WO 2006/097808 A1
  • Route2
    • null|null
      773837-37-9
    • In-stock
      1-Chloro-2-methyl-2-propanol|CS-0030576
      558-42-9
    • ~90%
    • In-stock
      3-Hydroxy-3-methylbutanenitrile|CS-0154614
      13635-04-6

    References

    • Pfizer Inc Patent: US2009/298811 A1, 2009 ; Location in patent: Page/Page column 58 ;
  • Route3
    • null|null
      558-30-5
    • null|null
      75-86-5
    • ~65%
    • In-stock
      3-Hydroxy-3-methylbutanenitrile|CS-0154614
      13635-04-6

    References

    • Ohno, Hiroshi; Mori, Atsunori; Inoue, Shohei Chemistry Letters, 1993 , # 6 p. 975 - 978

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H332
Precautionary Statements : P261-P264-P270-P271-P304+P340-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   0.67098
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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