Diethyl 2-chloro-3-oxosuccinate supplier

Name
2-CHLORO-3-OXO-SUCCINIC ACID DIETHYL ESTER
EINECS 200-589-5
CAS No. 34034-87-2
Article Data13
CAS DataBase
Density 1.262 g/cm³
Solubility
Melting Point
Formula C₈H₁₁ClO₅
Boiling Point 271.248 °C at 760 mmHg
Molecular Weight 222.625
Flash Point 108.215 °C
Transport Information
Appearance Colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Butanedioicacid, chlorooxo-, diethyl ester (9CI);Oxalacetic acid, chloro-, diethyl ester(7CI,8CI);Diethyl 3-chloro-2-oxosuccinate;Diethyl chlorooxalacetate;Ethyl a-chloro-a-ethoxalylacetate;
PSA 69.67000
LogP 0.28910

Diethyl 2-chloro-3-oxosuccinate Specification

The Butanedioic acid, 2-chloro-3-oxo-, 1, 4-diethyl ester, with the CAS registry number of 34034-87-2, is also known as Diethyl chlorooxalacetate and 2-Chloro-3-oxo-succinic acid diethyl ester. This chemical's molecular formula is C₈H₁₁ClO₅ and molecular weight is 222.62. What's more, its IUPAC name is Diethyl 2-chloro-3-oxobutanedioate.

Physical properties about Butanedioic acid, 2-chloro-3-oxo-, 1, 4-diethyl ester are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 69.67 Å²; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 47.499 cm³; (15)Molar Volume: 176.435 cm³; (16)Surface Tension: 38.955 dyne/cm; (17)Density: 1.262 g/cm³; (18)Flash Point: 108.215 °C; (19)Enthalpy of Vaporization: 50.947 kJ/mol; (20)Boiling Point: 271.248 °C at 760 mmHg; (21)Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C(Cl)C(=O)OCC)C(=O)OCC
(2) InChI: InChI=1/C8H11ClO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5H,3-4H2,1-2H3
(3) InChIKey: JNQWFLVFHCCWPV-UHFFFAOYAW

Product Name

2-CHLORO-3-OXO-SUCCINIC ACID DIETHYL ESTER

Diethyl 2-chloro-3-oxosuccinate Specification

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