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Basic Information
CAS No.: 68121-46-0
Name: 3,5-Dichlorothioanisole
Article Data: 5
Molecular Structure:
Molecular Structure of 68121-46-0 (3,5-Dichlorothioanisole)
Formula: C7H6Cl2S
Molecular Weight: 193.097
Synonyms: Sulfide,3,5-dichlorophenyl methyl (6CI);3,5-Dichlorophenyl methyl sulfide;
Density: 1.35 g/cm3
Melting Point: 170-171 °C(Solv: benzene (71-43-2))
Boiling Point: 249.3 °C at 760 mmHg
Flash Point: 103.9 °C
Hazard Symbols: IrritantXi
Risk Codes: R36/37/38
Safety: 26-36
PSA: 25.30000
LogP: 3.71530
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    3,5-Dichlorothioanisole

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    Molecular Formula C7H6Cl2S Molecular Weight 193.09 CAS Registry Number 68121-46-0 Name3,5-DichlorothioanisoleMolecular Str…

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    3,5-Dichloro thioanisole

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Chemistry

Molecular Structure of 3,5-Dichlorothioanisole (CAS NO.68121-46-0):

IUPAC Name: 1,3-dichloro-5-methylsulfanylbenzene 
Empirical Formula: C7H6Cl2S
Molecular Weight: 193.0935
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.603
Molar Refractivity: 49.04 cm3
Molar Volume: 142.7 cm3
Surface Tension: 45.3 dyne/cm
Density: 1.35 g/cm3
Flash Point: 103.9 °C
Enthalpy of Vaporization: 46.69 kJ/mol
Boiling Point: 249.3 °C at 760 mmHg
Vapour Pressure: 0.0365 mmHg at 25°C
Product Categories: Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds
InChI
InChI=1/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
Smiles
c1(cc(cc(c1)SC)Cl)CI

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: Irritant

Specification

  3,5-Dichlorothioanisole , with CAS number of 68121-46-0, can be called Sulfide,3,5-dichlorophenyl methyl (6CI) ; 3,5-Dichlorophenyl methyl sulfide .