ChemicalBook--->CAS DataBase List--->17216-62-5

17216-62-5

17216-62-5 Structure

17216-62-5 Structure
IdentificationMore
[Name]

DIETHYL 2-(2-CYANOETHYL)MALONATE
[CAS]

17216-62-5
[Synonyms]

2-(2-CYANOETHYL)MALONIC ACID DIETHYL ESTER
(2-CYANOETHYL)MALONIC ACID DIETHYL ESTER
DIETHYL 2-(2-CYANOETHYL)MALONATE
DIETHYL (2-CYANOETHYL)MALONATE
TIMTEC-BB SBB000530
Diethyl 2-cyanomalonate
Propanedioic acid, (2-cyanoethyl)-, diethyl ester
4,4-Bis(ethoxycarbonyl)butyronitrile~2-Cyanoethylmalonic acid diethyl ester
Diethyl 2-(2-cyanoethyl)malonate, 98+%
4,4-bis(ethoxycarbonyl)butyronitrile
DIETHYL 2-(2-CYANOETHYL)MALONATE,2-CYANOETHYLMALONIC ACID DIETHYL ESTER
Diethyl (2-cyanoethyl)malonate, 98+%
[EINECS(EC#)]

241-260-7
[Molecular Formula]

C10H15NO4
[MDL Number]

MFCD00001966
[Molecular Weight]

213.23
[MOL File]

17216-62-5.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS TO LIGHT YELLOW LIQUID
[Boiling point ]

115-118 °C2 mm Hg(lit.)
[density ]

1.078 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.436(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

12.15±0.59(Predicted)
[color ]

Colorless to Light yellow
[BRN ]

1790237
[InChI]

1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
[InChIKey]

YJJLOESDBPRZIP-UHFFFAOYSA-N
[SMILES]

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

17216-62-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Diethyl 2-(2-cyanoethyl)-malonate(17216-62-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3276
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium ethoxide-->Diethyl malonate-->Acrylonitrile
[Preparation Products]

3-Carbethoxy-2-piperidone
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLORLESS TO LIGHT YELLOW LIQUID
[Uses]

Diethyl 2-(2-cyanoethyl)malonate was used in the synthesis of carbon-3-substituted 1,5,9-triazacyclododecanes, useful as RNA cleavage reagent for oligonucleotide tethering.
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5)MS
DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5)1HNMR
DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5)13CNMR
DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5)IR1
DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5)IR2
DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl 2-(2-cyanoethyl)malonate, 98%(17216-62-5)
[Alfa Aesar]

Diethyl 2-(2-cyanoethyl)malonate, 98+%(17216-62-5)
[TCI AMERICA]

(2-Cyanoethyl)malonic Acid Diethyl Ester,>98.0%(GC)(17216-62-5)
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