Ethanol,2-[[(4-chlorophenyl)methyl]thio]- supplier

Name
4-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE
EINECS 275-568-8
CAS No. 71501-40-1
Article Data2
CAS DataBase
Density 1.249 g/cm³
Solubility
Melting Point 139-140°C 1mm
Formula C₉H₁₁ClOS
Boiling Point 328.2 °C at 760 mmHg
Molecular Weight 202.705
Flash Point 152.3 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(4-chlorobenzyl)sulfanyl]ethanol;
PSA 45.53000
LogP 2.56550

Ethanol,2-[[(4-chlorophenyl)methyl]thio]- Specification

The CAS registry number of Ethanol,2-[[(4-chlorophenyl)methyl]thio]- is 71501-40-1. This chemical is also named as 4-Chlorobenzyl 2-hydroxyethyl sulfide. The EINECS registry number of it is 275-568-8. In addition, its molecular formula is C₉H₁₁ClOS and molecular weight is 202.7. Its systematic name and IUPAC name are the same which is called 2-[(4-chlorobenzyl)sulfanyl]ethanol. We should avoid contact with skin and eyes.

Physical properties about Ethanol,2-[[(4-chlorophenyl)methyl]thio]- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.591; (7)Molar Refractivity: 54.86 cm³; (8)Molar Volume: 162.1 cm³; (9)Surface Tension: 48 dyne/cm; (10)Density: 1.249 g/cm³; (11)Flash Point: 152.3 °C; (12)Enthalpy of Vaporization: 60.23 kJ/mol; (13)Boiling Point: 328.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CSCCO
(2)InChI: InChI=1/C9H11ClOS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,11H,5-7H2
(3)InChIKey: DKNBCVYGWWWYEP-UHFFFAOYAG

Product Name

4-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE

Ethanol,2-[[(4-chlorophenyl)methyl]thio]- Specification

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