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262382 Sigma-Aldrich

4,4-Dimethyl-3-oxopentanenitrile

99%

Synonym: Pivaloylacetonitrile

  • CAS Number 59997-51-2

  • Linear Formula (CH3)3CCOCH2CN

  • Molecular Weight 125.17

  •  Beilstein/REAXYS Number 1746674

  •  EC Number 262-017-1

  •  MDL number MFCD00010208

  •  PubChem Substance ID 24855876

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
assay   99%
bp   125-126 °C/22 mmHg (lit.)
mp   66-69 °C (lit.)
storage temp.   room temp
SMILES string   CC(C)(C)C(=O)CC#N
InChI   1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChI key   MXZMACXOMZKYHJ-UHFFFAOYSA-N

Description

Application

4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of:
• 4,4-dimethyl-3-oxo-2-benzylpentanenitrile
• 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile
• 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile
• 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile
• 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile
• 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea

Packaging

25, 100 g in poly bottle

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3439 6.1 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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