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2-Pentanol,1,5-dibromo-, 2-acetate

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Name

2-Pentanol,1,5-dibromo-, 2-acetate

EINECS N/A
CAS No. 205180-51-4 Density 1.652 g/cm3
PSA 26.30000 LogP 2.48810
Solubility N/A Melting Point N/A
Formula C7H12Br2O2 Boiling Point 302.2 °C at 760 mmHg
Molecular Weight 287.98 Flash Point 136.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 205180-51-4 (1,5-DIBROMO-2-PENTYL ACETATE) Hazard Symbols N/A
Synonyms

2-Pentanol,1,5-dibromo-, acetate (9CI);1,5-Dibromo-2-pentyl acetate;1,5-Dibromopentan-2-yl acetate;2-Acetoxy-1,5-dibromopentane;4-Bromo-1-(bromomethyl)butyl acetate;

 

2-Pentanol,1,5-dibromo-, 2-acetate Specification

The 2-Pentanol,1,5-dibromo-, 2-acetate, with the CAS registry number 205180-51-4, is also known as 1,5-Dibromo-2-pentyl acetate. This chemical's molecular formula is C7H12Br2O2 and molecular weight is 287.98. What's more, its systematic name is 1,5-Dibromopentan-2-yl acetate.

Physical properties of 2-Pentanol,1,5-dibromo-, 2-acetate are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.74; (6)ACD/BCF (pH 7.4): 54.74; (7)ACD/KOC (pH 5.5): 610.83; (8)ACD/KOC (pH 7.4): 610.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 51.67 cm3; (15)Molar Volume: 174.3 cm3; (16)Polarizability: 20.48×10-24 cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.652 g/cm3; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 54.24 kJ/mol; (21)Boiling Point: 302.2 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC(CCCBr)CBr
(2)InChI: InChI=1S/C7H12Br2O2/c1-6(10)11-7(5-9)3-2-4-8/h7H,2-5H2,1H3
(3)InChIKey: JGMIHIAAGUSENI-UHFFFAOYSA-N

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