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14064-10-9

Basic Information
CAS No.: 14064-10-9
Name: Diethyl chloromalonate
Article Data: 44
Molecular Structure:
Molecular Structure of 14064-10-9 (Diethyl chloromalonate)
Formula: C7H11ClO4
Molecular Weight: 194.615
Synonyms: Malonicacid, chloro-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, chloro-, diethylester (9CI);Chloromalonic acid diethyl ester;Chloropropanedioic acid ethylester;Diethyl monochloromalonate;Ethylchloromalonate;NSC 227952;a-Chlorodiethyl malonate;
EINECS: 237-913-0
Density: 1.195 g/cm3
Boiling Point: 222 °C at 760 mmHg
Flash Point: 103.3 °C
Appearance: white crystal
Hazard Symbols: CorrosiveC
Risk Codes: 34-36/37
Safety: 26-27-28-36/37/39-45
Transport Information: UN 3265 8/PG 2
PSA: 52.60000
LogP: 0.72000
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  • Diethyl chloromalonate cas  14064-10-9

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Specification

The Diethyl chloromalonate, with CAS registry number 14064-10-9, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)The Malonate Ramification Products; (3)C6 to C7; (4)Carbonyl Compounds; (5)Esters. It has the systematic name of diethyl chloropropanedioate. What's more, its EINECS is 237-913-0.

Physical properties of Diethyl chloromalonate: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.72; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 121.29; (8)ACD/KOC (pH 7.4): 118.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 42.83 cm3; (15)Molar Volume: 162.8 cm3; (16)Polarizability: 16.98×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Enthalpy of Vaporization: 45.85 kJ/mol; (19)Vapour Pressure: 0.104 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Diethyl chloromalonate may causes burns. And this chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.After contact with skin, wash immediately with plenty of soap-suds. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(Cl)C(=O)OCC
(2)InChI: InChI=1/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
(3)InChIKey: WLWCQKMQYZFTDR-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
(5)Std. InChIKey: WLWCQKMQYZFTDR-UHFFFAOYSA-N