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ChemicalBook--->CAS DataBase List--->59997-51-2

59997-51-2

59997-51-2 Structure

59997-51-2 Structure
IdentificationMore
[Name]

Pivaloylacetonitrile
[CAS]

59997-51-2
[Synonyms]

1-CYANO-3,3-DIMETHYL-2-BUTANONE
4,4-DIMETHYL-3-OXO-N-VALERONITRILE
4,4-DIMETHYL-3-OXOPENTANENITRILE
4,4-dimethyl-3-oxovaleronitrile
CYANOPINACOLONE
PIVALOYLACETONITRILE
TIMTEC-BB SBB008437
TRIMETHYLACETYLACETONITRILE
4,4-dimethyl-3-oxo-pentanenitril
Pentanenitrile, 4,4-dimethyl-3-oxo-
1-Cyanopinacolone
Pivaloyl Acetonitrile 99%min
4,4-DIMETHYL-3-OXOVALERONITRILE(PIVALOYLACETONITRILE)
4,4,-Dimethyl-3-Ox-Valeronitrile(Pivaloylacetonitrile)
Trimethylacetylacetonitrile, 98+%
Trimethylacetylacetonitrile,99%
4,4-DIMETHYL-3-OXOPENTANENITRILE(PIVALOYLACETONITRILE)
PIVALOYLACETONITRILE (4,4-DIMETHYL-3-OXOPENTANENITRILE) (1-CYANOPINACOLONE)
Valeronitrile, 4,4-dimethyl-3-oxo
3-Oxo-4,4-dimethylpentanenitrile
[EINECS(EC#)]

262-017-1
[Molecular Formula]

C7H11NO
[MDL Number]

MFCD00010208
[Molecular Weight]

125.17
[MOL File]

59997-51-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to cream crystals or crystalline powder
[Melting point ]

66-69 °C(lit.)
[Boiling point ]

125-126 °C22 mm Hg(lit.)
[density ]

1.0459 (rough estimate)
[refractive index ]

1.4693 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Crystals or Crystalline Powder
[pka]

10.25±0.10(Predicted)
[color ]

White to cream
[Water Solubility ]

Insoluble in water.
[BRN ]

1746674
[CAS DataBase Reference]

59997-51-2(CAS DataBase Reference)
[NIST Chemistry Reference]

4,4-Dimethyl-3-oxopentanenitrile(59997-51-2)
[EPA Substance Registry System]

Pentanenitrile, 4,4-dimethyl-3-oxo- (59997-51-2)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R25:Toxic if swallowed.
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3439 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

SA2991000
[F ]

8
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isoxazole, 3,5-bis(1,1-dimethylethyl)--->N-Methoxy-N,2,2-trimethylpropanamide-->1-Bromopinacolone-->Ethyl trimethylacetate-->Sodium cyanide-->1-Chloropinacolone-->Acetonitrile-->Pinacolone
[Preparation Products]

3-TERT-BUTYLISOXAZOL-5-AMINE-->5-AMINO-3-TERT-BUTYL-1-METHYLPYRAZOLE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4,4-Dimethyl-3-oxovaleronitrile(59997-51-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to cream crystals or crystalline powder
[Uses]

Trimethylacetylacetonitrile is a useful intermediate. 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Pivaloylacetonitrile(59997-51-2)MS
Pivaloylacetonitrile(59997-51-2)1HNMR
Pivaloylacetonitrile(59997-51-2)13CNMR
Pivaloylacetonitrile(59997-51-2)IR1
Pivaloylacetonitrile(59997-51-2)IR2
Pivaloylacetonitrile(59997-51-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pivaloylacetonitrile, 97%(59997-51-2)
[Alfa Aesar]

Trimethylacetylacetonitrile, 99%(59997-51-2)
[Sigma Aldrich]

59997-51-2(sigmaaldrich)
[TCI AMERICA]

Pivaloylacetonitrile,>98.0%(GC)(59997-51-2)
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