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4911-65-3

Basic Information
CAS No.: 4911-65-3
Name: 3-CHLOROPROPYL PHENYL SULFIDE
Article Data: 34
Molecular Structure:
Molecular Structure of 4911-65-3 (3-CHLOROPROPYL PHENYL SULFIDE)
Formula: C9H11ClS
Molecular Weight: 186.705
Synonyms: Sulfide,3-chloropropyl phenyl (6CI,7CI,8CI);1-(Phenylthio)-3-chloropropane;1-Chloro-3-(phenylthio)propane;3-(Phenylthio)propyl chloride;3-Chloropropylphenyl sulfide;3-Chloropropyl phenyl thioether;3-Phenylthio-1-chloropropane;NSC 110816;[(3-Chloropropyl)sulfanyl]benzene;[(3-Chloropropyl)thio]benzene;
Density: 1.13 g/cm3
Boiling Point: 270.5 °C at 760 mmHg
Flash Point: 114.8 °C
Appearance: liquid
Risk Codes: 23/24/25-36/37/38
Safety: 26-36/37/39
PSA: 25.30000
LogP: 3.40760
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Specification

The Benzene,[(3-chloropropyl)thio]-, with the CAS registry number 4911-65-3, is also known as 1-Chloro-3-(phenylthio)propane. This chemical's molecular formula is C9H11ClS and molecular weight is 186.7. What's more, its systematic name is 3-chloropropylsulfanylbenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of Benzene,[(3-chloropropyl)thio]- are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 25.3 Å2; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 53.48 cm3; (9)Molar Volume: 165 cm3; (10)Polarizability: 21.2×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.13 g/cm3; (13)Flash Point: 114.8 °C; (14)Enthalpy of Vaporization: 48.82 kJ/mol; (15)Boiling Point: 270.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0113 mmHg at 25°C.

Preparation of Benzene,[(3-chloropropyl)thio]-: this chemical can be prepared by 3-phenylsulfanyl-propan-1-ol at the temperature of 110 °C. This reaction will need reagent SOCl2 and solvent pyridine with the reaction time of 10 hours. The yield is about 83%.

Benzene,[(3-chloropropyl)thio]- can be prepared by 3-phenylsulfanyl-propan-1-ol at the temperature of 110 °C

Uses of Benzene,[(3-chloropropyl)thio]-: it can be used to produce (3-chloro-propyl)-phenyl sulfone. It will need reagent H2O2 and solvent acetic acid. The yield is about 77%.

Benzene,[(3-chloropropyl)thio]- can be used to produce (3-chloro-propyl)-phenyl sulfone

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)SCCCCl
(2)InChI: InChI=1S/C9H11ClS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(3)InChIKey: SBRLITLVSMPPFI-UHFFFAOYSA-N