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63972-18-9

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63972-18-9 Structure

63972-18-9 Structure
IdentificationBack Directory
[Name]

BUTYRONITRILE DIETHYL MALONATE
[CAS]

63972-18-9
[Synonyms]

BUTYRONITRILE DIETHYL MALONATE
DIETHYL (3-CYANOPROPYL)MALONATE
diethyl 2-(3-cyanopropyl)malonate
Propanedioic acid, (3-cyanopropyl)-, diethyl ester
2-(3-Cyanopropyl)propanedioic Acid 1,3-Diethyl Ester
[Molecular Formula]

C11H17NO4
[MDL Number]

MFCD07357261
[MOL File]

63972-18-9.mol
[Molecular Weight]

227.26
Chemical PropertiesBack Directory
[Appearance]

Yellow Oily Liquid
[Boiling point ]

154°C@0.5mmHg.
[density ]

1.077±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Soluble), Methanol (Sparingly)
[form ]

Oil
[pka]

12.54±0.59(Predicted)
[color ]

Colourless to Brown
[InChI]

InChI=1S/C11H17NO4/c1-3-15-10(13)9(7-5-6-8-12)11(14)16-4-2/h9H,3-7H2,1-2H3
[InChIKey]

TXBCSTVTPWJWRR-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(CCCC#N)C(OCC)=O
[CAS DataBase Reference]

63972-18-9
Hazard InformationBack Directory
[Chemical Properties]

Yellow Oily Liquid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P301+P312-P302+P352-P305+P351+P338
[HS Code ]

2926907090
Questions And AnswerBack Directory
[Application]

Diethyl butyronitrile malonate is an ester organic compound that can be used as an organic reagent.
Spectrum DetailBack Directory
[Spectrum Detail]

BUTYRONITRILE DIETHYL MALONATE(63972-18-9)1HNMR
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