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868-68-8

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Basic Information
CAS No.: 868-68-8
Name: Diethyl 2,6-dibromoheptanedioate
Article Data: 6
Molecular Structure:
Molecular Structure of 868-68-8 (Diethyl 2,6-dibromoheptanedioate)
Formula: C11H18 Br2 O4
Molecular Weight: 374.07
Synonyms: Heptanedioicacid, 2,6-dibromo-, diethyl ester (6CI,8CI,9CI); NSC 7735
EINECS: 212-781-7
Density: 1.531g/cm3
Boiling Point: 357.4°C at 760 mmHg
Flash Point: 170°C
PSA: 52.60000
LogP: 2.80990
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Chemistry

Molecular Structure of Diethyl 2,6-dibromoheptanedioate (CAS NO.868-68-8):

IUPAC Name: Diethyl 2,6-dibromoheptanedioate 
Molecular Formula: C11H18Br2O4
Molecular Weight: 374.07
CAS Registry Number: 868-68-8
EINECS: 212-781-7 
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.5
Molar Refractivity: 71.94 cm3
Molar Volume: 244.1 cm3
Surface Tension: 41.1 dyne/cm
Density: 1.531 g/cm3
Flash Point: 170 °C
Enthalpy of Vaporization: 60.28 kJ/mol
Boiling Point: 357.4 °C at 760 mmHg
Vapour Pressure: 2.73E-05 mmHg at 25 °C
Canonical SMILES: CCOC(=O)C(CCCC(C(=O)OCC)Br)Br
InChI: InChI=1S/C11H18Br2O4/c1-3-16-10(14)8(12)6-5-7-9(13)11(15)17-4-2/h8-9H,3-7H2,1-2H3
InChIKey: SPJSPERKKWTTBF-UHFFFAOYSA-N

Specification

 Diethyl 2,6-dibromoheptanedioate (CAS NO.868-68-8), its Synonyms are Heptanedioic acid,2,6-dibromo-, 1,7-diethyl ester ; Heptanedioicacid, 2,6-dibromo-, diethyl ester (6CI,8CI,9CI) ; 2,6-Dibromoheptanedioic acid diethyl ester .