Propanedioic acid,2-(6-bromohexyl)-, 1,3-diethyl ester supplier

Name
DIETHYL (6-BROMOHEXYL)MALONATE
EINECS
CAS No. 6557-85-3
Article Data10
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₃BrO₄
Boiling Point 336.5 °C at 760 mmHg
Molecular Weight 323.227
Flash Point 157.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 54804;Diethyl(6-bromohexyl)propanedioate;Diethyl (6-bromohexyl)malonate;Propanedioic acid,(6-bromohexyl)-, diethyl ester (9CI);Malonicacid, (6-bromohexyl)-, diethyl ester (6CI,7CI,8CI);
PSA 52.60000
LogP 3.07420

Propanedioic acid,2-(6-bromohexyl)-, 1,3-diethyl ester Specification

The Propanedioic acid, 2-(6-bromohexyl)-, 1, 3-diethyl ester, with the CAS registry number 6557-85-3, is also known as Diethyl 2-(6-bromohexyl)propane-1, 3-dioate. This chemical's molecular formula is C₁₃H₂₃BrO₄ and molecular weight is 323.22. What's more, its IUPAC name is Diethyl 2-(6-bromohexyl)propanedioate.

Physical properties about Propanedioic acid, 2-(6-bromohexyl)-, 1, 3-diethyl ester are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.469; (8)Molar Refractivity: 73.51 cm³; (9)Molar Volume: 263.6 cm³; (10)Polarizability: 29.14×10^-24 cm³; (11)Surface Tension: 36.5 dyne/cm; (12)Density: 1.225 g/cm³; (13)Flash Point: 157.3 °C; (14)Enthalpy of Vaporization: 57.96 kJ/mol; (15)Boiling Point: 336.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000112 mmHg at 25 °C.

Uses of Propanedioic acid, 2-(6-bromohexyl)-, 1, 3-diethyl ester: it is used to produce other chemicals. For example, it is used to produce Cycloheptane-1, 1-dicarboxylic acid diethyl ester. This reaction needs reagents 18-Crown-6, KOH, EtOH. Meanwhile, it needs solvent Dimethylsulfoxide. The reaction time is 3.5 hours with reaction temperature of 80 °C. The yield is about 68 %.

Propanedioic acid, 2-(6-bromohexyl)-, 1, 3-diethyl ester can be used to produce Cycloheptane-1, 1-dicarboxylic acid diethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(C(=O)OCC)CCCCCCBr
(2) InChI: InChI=1/C13H23BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10-14/h11H,3-10H2,1-2H3
(3) InChIKey: UEOSPPIPGYKPTO-UHFFFAOYAS

Product Name

DIETHYL (6-BROMOHEXYL)MALONATE

Propanedioic acid,2-(6-bromohexyl)-, 1,3-diethyl ester Specification

Related Products

Hot Products