Hexyl 2,2,2-trichloroacetate supplier

Name
TRICHLOROACETIC ACID HEXYL ESTER(C6)
EINECS
CAS No. 37587-86-3
Density 1.248 g/cm³
Solubility
Melting Point
Formula C₈H₁₃Cl₃O₂
Boiling Point 236.9 °C at 760 mmHg
Molecular Weight 247.54662
Flash Point 81.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid,trichloro-,hexylester;Trichloroacetic acid, hexyl ester;trichloroaceticacidhexylester(c6);HEXYL TRICHLOROACETATE)
PSA 26.30000
LogP 3.48010

Hexyl 2,2,2-trichloroacetate Specification

The Hexyl 2,2,2-trichloroacetate is an organic compound with the formula C₈H₁₃Cl₃O₂. The IUPAC name of this chemical is hexyl 2,2,2-trichloroacetate. With the CAS registry number 37587-86-3, it is also named as Trichloroacetic acid, hexyl ester.

Physical properties about Hexyl 2,2,2-trichloroacetate are: (1)ACD/LogP: 4.77; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 26.3 Å²; (5)Index of Refraction: 1.47; (6)Molar Refractivity: 55.39 cm³; (7)Molar Volume: 198.2 cm³; (8)Polarizability: 21.96×10^-24cm³; (9)Surface Tension: 35.9 dyne/cm; (10)Density: 1.248 g/cm³; (11)Flash Point: 81.3 °C; (12)Enthalpy of Vaporization: 47.37 kJ/mol; (13)Boiling Point: 236.9 °C at 760 mmHg; (14)Vapour Pressure: 0.0462 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(=O)OCCCCCC
(2)InChI: InChI=1/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
(3)InChIKey: UJGLOWVVUOBEJU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
(5)Std. InChIKey: UJGLOWVVUOBEJU-UHFFFAOYSA-N

Product Name

TRICHLOROACETIC ACID HEXYL ESTER(C6)

Hexyl 2,2,2-trichloroacetate Specification

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