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  6. Trimethylacetylacetonitrile, 99%, Thermo Scientific Chemicals

Trimethylacetylacetonitrile, 99%, Thermo Scientific Chemicals

Catalog No. AAA1630914
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AAA1630914 25 g
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Catalog No. AAA1630914 Supplier Thermo Scientific Chemicals Supplier No. A1630914
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Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, bases.

Chemical Identifiers

CAS 59997-51-2
Molecular Formula C7H11NO
Molecular Weight (g/mol) 125.171
MDL Number MFCD00010208
InChI Key MXZMACXOMZKYHJ-UHFFFAOYSA-N
Synonym pivaloylacetonitrile, trimethylacetylacetonitrile, 4,4-dimethyl-3-oxovaleronitrile, pentanenitrile, 4,4-dimethyl-3-oxo, 4,4-dimethyl-3-oxo-pentanenitrile, cyanopinacolone, pivaloyl acetonitrile, 1-cyano-3,3-dimethyl-2-butanone, valeronitrile, 4,4-dimethyl-3-oxo, pyvaolylacetonitrile
PubChem CID 108871
IUPAC Name 4,4-dimethyl-3-oxopentanenitrile
SMILES CC(C)(C)C(=O)CC#N

Specifications

Melting Point 66°C to 70°C
Quantity 25 g
UN Number UN3439
Beilstein 1746674
Solubility Information Insoluble in water.
Formula Weight 125.17
Percent Purity 99%
Chemical Name or Material Trimethylacetylacetonitrile

Safety and Handling

Hazard Category H301-H312+H332-H315-H319-H335
Hazard Statement GHS H Statement
H301
Toxic if swallowed.
Precautionary Statement P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
DOTInformation Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber 262-017-1
RTECSNumber SA2991000
TSCA Yes
Recommended Storage Ambient temperatures

RUO – Research Use Only