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