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91767-54-3

Basic Information
CAS No.: 91767-54-3
Name: 2-[(2-chloroethyl)sulfanyl]ethyl phenylacetate
Molecular Structure:
Molecular Structure of 91767-54-3 (2-[(2-chloroethyl)sulfanyl]ethyl phenylacetate)
Formula: C12H15ClO2S
Molecular Weight: 258.769
Synonyms: Aceticacid, phenyl-, 2-[(2-chloroethyl)thio]ethyl ester (7CI);NSC 36309;
Density: 1.191g/cm3
Boiling Point: 381.2 °C at 760 mmHg
Flash Point: 184.4 °C
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  • Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester

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    91767-54-3

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

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  • Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester cas  91767-54-3

  • Casno:

    91767-54-3

    Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester cas 91767-54-3

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    Benzeneacetic acid,2-[(2-chloroethyl)thio]ethyl ester cas 91767-54-3Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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

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    91767-54-3

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

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    laboratory Application:Synthetic building block

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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