Thioanisole

CAS No. 100-68-5

Formula: C7H8S
Basic Info

Thioanisole is an organic compound with the formula CH3SC6H5. It is a colorless liquid, which is soluble in organic solvents. It is the simplest alkyl-aryl thioether. The name indicates that this compound is the sulfur-analogue of methoxybenzene, anisole.
It can be prepared by methylation of thiophenol.

Formula
C7H8S
Molecular Weight
124.203
Exact Mass
124.035
LogP
2.4085
PSA
25.3
Synonyms

Methylthiobenzene

methylsulfanylbenzene

Benzene, (methylthio)-

Methyl Phenyl Sulfide

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Properties
Appearance & Physical State
Colorless to yellow liquid
Density
1.057
Boiling Point
188ºC
Melting Point
-15ºC
Flash Point
57ºC
Refractive Index
1.5842-1.5862
Water Solubility
INSOLUBLE
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
2-8ºC
Vapor Pressure
0.662mmHg at 25°C
Safety Info
RTECS
DA6200000
Safety Statements
S26-S36/37
WGK Germany
3
Risk Statements
R22; R36/37/38
HS Code
29309070
RIDADR
UN 1993
Hazard Class
9
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
891 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 1,356,1971
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intravenous
Species Observed
Rodent - mouse
Dose/Duration
56 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00184

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