Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester supplier

Name
2-[(2-chloroethyl)sulfanyl]ethyl phenylacetate
EINECS
CAS No. 91767-54-3
Density 1.191g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅ClO₂S
Boiling Point 381.2 °C at 760 mmHg
Molecular Weight 258.769
Flash Point 184.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, phenyl-, 2-[(2-chloroethyl)thio]ethyl ester (7CI);NSC 36309;
PSA
LogP

Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester Specification

The Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester, with CAS registry number 91767-54-3, has the systematic name of 2-[(2-chloroethyl)sulfanyl]ethyl phenylacetate. Besides this, it is also called Aceticacid, phenyl-, 2-[(2-chloroethyl)thio]ethyl ester (7CI). And the chemical formula of this chemical is C₁₂H₁₅ClO₂S.

Physical properties of Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 51.6 Å²; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 68.95 cm³; (9)Molar Volume: 217.1 cm³; (10)Polarizability: 27.33×10^-24cm³; (11)Surface Tension: 43.2 dyne/cm; (12)Density: 1.191 g/cm³; (13)Flash Point: 184.4 °C; (14)Enthalpy of Vaporization: 62.95 kJ/mol; (15)Boiling Point: 381.2 °C at 760 mmHg; (16)Vapour Pressure: 5.15E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCSCCCl)Cc1ccccc1
(2)InChI: InChI=1/C12H15ClO2S/c13-6-8-16-9-7-15-12(14)10-11-4-2-1-3-5-11/h1-5H,6-10H2
(3)InChIKey: SDXCVRJJIAUUCS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H15ClO2S/c13-6-8-16-9-7-15-12(14)10-11-4-2-1-3-5-11/h1-5H,6-10H2
(5)Std. InChIKey: SDXCVRJJIAUUCS-UHFFFAOYSA-N

Product Name

2-[(2-chloroethyl)sulfanyl]ethyl phenylacetate

Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester Specification

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