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17216-62-5

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CAS No.: 17216-62-5
Name: DIETHYL 2-(2-CYANOETHYL)MALONATE
Article Data: 32
Molecular Structure:
Molecular Structure of 17216-62-5 (DIETHYL 2-(2-CYANOETHYL)MALONATE)
Formula: C10H15 N O4
Molecular Weight: 213.233
Synonyms: Malonicacid, (2-cyanoethyl)-, diethyl ester (6CI,8CI); Propanedioic acid,(2-cyanoethyl)-, diethyl ester (9CI); 3-Cyano-1,1-propanedicarboxylic aciddiethyl ester; Diethyl (2-cyanoethyl)malonate; Diethyl2-(2-cyanoethyl)malonate; Diethyl 2-(2-cyanoethyl)propanedioate
EINECS: 241-260-7
Density: 1.078
Boiling Point: 115-118at2mmHg
Flash Point: 113 ºC
Appearance: CLEAR COLORLESS TO LIGHT YELLOW LIQUID
Hazard Symbols:
Risk Codes: R20/21/22   
Safety:
Hazard Codes Xn
Risk Statements 20/21/22
Safety Statements 36
RIDADR 3276
WGK Germany 3
HazardClass 6.1
PackingGroup III
PSA: 76.39000
LogP: 1.03258
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Chemistry

The Molecular Structure of Diethyl 2-(2-cyanoethyl)malonate (CAS NO.17216-62-5) is

Cas Register Number: 17216-62-5
IUPAC Name:  Diethyl 2-(2-cyanoethyl)propanedioate
Synonyms:  Diethyl (2-cyanoethyl)malonate ; Diethyl 2-(2-cyanoethyl)-malonate ; Propanedioic acid, 2-(2-cyanoethyl)-, diethyl ester ; (2-Cyanoethyl)malonic acid diethyl ester ; 1,3-Diethyl 2-(2-cyanoethyl)propanedioate ; 2-Cyanoethylmalonic acid diethyl ester ; 4,4-Bis(ethoxycarbonyl)butyronitrile ; Diethyl-(2-cyanethyl)malonat
Molecular Formula: C10H15NO4
Molecular Weight: 213.230400 g/mol 
Product Categories: C10 to C11;Carbonyl Compounds;Esters
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.91
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 5.5): 2.91
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 5.5): 74.73
ACD/KOC (pH 7.4): 74.73
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 76.39 Å2
Index of Refraction: 1.445
Molar Refractivity: 51.79 cm3
Molar Volume: 194.3 cm3
Polarizability: 20.53 x10-24 cm3
Surface Tension: 38.8 dyne/cm
Density: 1.097 g/cm3 
Flash Point: 140.9 °C
Enthalpy of Vaporization: 52.73 kJ/mol
Boiling Point: 288.1 °C at 760 mmHg
Vapour Pressure of Diethyl 2-(2-cyanoethyl)malonate (CAS NO.17216-62-5): 0.00238 mmHg at 25°C

Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 20/21/22-36/37/38 
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: 36-26 
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