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CAS No.: | 68121-46-0 |
---|---|
Name: | 3,5-Dichlorothioanisole |
Article Data: | 5 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | R36/37/38 |
Safety: | 26-36 |
PSA: | 25.30000 |
LogP: | 3.71530 |
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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
Hazard Codes: Xi
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
3,5-Dichlorothioanisole , with CAS number of 68121-46-0, can be called Sulfide,3,5-dichlorophenyl methyl (6CI) ; 3,5-Dichlorophenyl methyl sulfide .