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2,6-Dibromohexanoic acid

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Name

2,6-Dibromohexanoic acid

EINECS N/A
CAS No. 13137-43-4 Density 1.839g/cm3
PSA 37.30000 LogP 2.39970
Solubility N/A Melting Point N/A
Formula C6H10Br2O2 Boiling Point 332.3 °C at 760 mmHg
Molecular Weight 273.952 Flash Point 154.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13137-43-4 (2,6-Dibromohexanoic acid) Hazard Symbols N/A
Synonyms

2,6-Dibromocaproicacid;NSC 510654;Hexanoic acid,2,6-dibromo-;

Article Data 7

2,6-Dibromohexanoic acid Specification

The 2,6-Dibromohexanoic acid with the cas number 13137-43-4, is also called hexanoic acid, 2,6-dibromo-. The product can be supplied by the following suppliers: (1)CARBONE SCIENTIFIC CO.,LTD.; (2)MOLEKULA Ltd.; (3)3B Scientific Corporation; (4)Service Chemical Inc.; (5)MDP ChemControl Ltd..

The properties of the chemical are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.18; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 46.83 cm3; (13)Molar Volume: 148.9 cm3; (14)Polarizability: 18.56×10-24cm3; (15)Surface Tension: 49.1 dyne/cm; (16)Enthalpy of Vaporization: 63.21 kJ/mol; (17)Vapour Pressure: 2.83×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCC(Br)C(=O)O
(2)InChI: InChI=1/C6H10Br2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10)

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