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Name |
Diethyl 2-(2-cyanoethyl)malonate |
EINECS | 241-260-7 | ||||||||||||||
CAS No. | 17216-62-5 | Density | 1.078 | ||||||||||||||
PSA | 76.39000 | LogP | 1.03258 | ||||||||||||||
Solubility | N/A | Melting Point |
N/A |
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Formula | C10H15 N O4 | Boiling Point | 115-118at2mmHg | ||||||||||||||
Molecular Weight | 213.233 | Flash Point | 113 ºC | ||||||||||||||
Transport Information | N/A | Appearance | CLEAR COLORLESS TO LIGHT YELLOW LIQUID | ||||||||||||||
Safety |
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Risk Codes | R20/21/22 | ||||||||||||||
Molecular Structure | Hazard Symbols | ||||||||||||||||
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 |
Article Data | 32 |
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
Hazard Codes: Xn,Xi
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