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| CAS No.: | 100-68-5 |
|---|---|
| Name: | Thioanisole |
| Article Data: | 505 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8S |
| Molecular Weight: | 124.207 |
| Synonyms: | Sulfide,methyl phenyl (6CI,8CI);(Methylthio)benzene;1-Phenyl-1-thiaethane;Anisole,thio-;Methyl phenyl sulfide;Methylphenyl thioether;NSC 57916;Phenyl methylsulfide;Phenylthiomethane;Thioanisol;Benzene, (methylthio)-; |
| EINECS: | 202-878-2 |
| Density: | 1.03 g/cm3 |
| Melting Point: | -15 °C(lit.) |
| Boiling Point: | 193 °C at 760 mmHg |
| Flash Point: | 57.2 °C |
| Solubility: | insoluble in water |
| Appearance: | Colorless to yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/39-36/37 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 25.30000 |
| LogP: | 2.40850 |
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Chemistry
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IUPAC Name: Methylsulfanylbenzene
Canonical SMILES: CSC1=CC=CC=C1
InChI: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey: HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Weight: 124.20342 [g/mol]
Molecular Formula: C7H8S
XLogP3; 2.7
EINECS: 202-878-2
storage temp.: 2-8 °C
Water Solubility: INSOLUBLE
Sensitive: Stench
Index of Refraction: 1.569
Molar Refractivity: 39.39 cm3
Molar Volume: 120.1 cm3
Surface Tension: 36.8 dyne/cm
Density: 1.03 g/cm3
Flash Point: 57.2 °C
Enthalpy of Vaporization: 41.16 kJ/mol
Boiling Point: 193 °C at 760 mmHg
Vapour Pressure: 0.662 mmHg at 25 °C
Appearance: Colorless to yellow liquid
Melting Point: -15 °C(lit.)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Product Categories of Thioanisole (CAS NO.100-68-5): Intermediates; Other Reagents; sulfide Flavor; Drug Discovery
Uses
Thioanisole (CAS NO.100-68-5) is used as a pesticide, medicine, dyes intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00184, | |
| rat | LD50 | oral | 891mg/kg (891mg/kg) | Pesticide Biochemistry and Physiology. Vol. 1, Pg. 356, 1971. |
Safety Profile
Hazard Codes: Xn .gif){kind=small}
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: DA6200000
F: 13
Hazard Note: Harmful/Stench
HazardClass: 9
PackingGroup of Thioanisole (CAS NO.100-68-5): III
Specification
Thioanisole (CAS NO.100-68-5), its Synonyms are (1-Thiaethyl)benzene ; (Methylthio)benzene ; 1-Phenyl-1-thiaethane ; Phenyl methyl sulfide ; Phenylthiomethane ; Thioanisol ; Methyl phenyl sulphide ; Methyl phenyl thioether ; Methyl phenylsulfide ; Methylphenylsulfide ; Sulfide, methyl phenyl (6CI,8CI) ; Benzene, (methylthio)- .