2-Methylbenzothiazole

Name	2-methylbenzothiazole
Synonyms	NSC 3825 CCRIS 8096 BRN 0112427 usafek-1853 USAF EK-1853 USAF ek-1853 2-Methylbenzothiazo 2-Methybenzothiazole 2-methylbenzothiazol 2-methyl-benzothiazol 2-Methylbenzothiazole 2-methylbenzothiazole Benzothiazole,2-methyl- Benzothiazole, 2-methyl- 2-Methyl-1,3-benzothiazole 2-methyl-1,3-benzothiazole 4-27-00-01080 (Beilstein Handbook Reference)
CAS	120-75-2
EINECS	204-423-3
InChI	InChI=1/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

Molecular Formula	C8H7NS
Molar Mass	149.21
Density	1.173 g/mL at 25 °C (lit.)
Melting Point	11-14 °C (lit.)
Boling Point	238 °C (lit.)
Flash Point	216°F
Water Solubility	Not miscible or difficult to mix with water.
Solubility	DMSO (Sparingly), Methanol (Slightly)
Vapor Presure	0.0669mmHg at 25°C
Appearance	Liquid
Color	slightly yellow
BRN	112427
pKa	1.65±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	n20/D 1.617(lit.)
Physical and Chemical Properties	Colorless oily liquid. Melting Point 14 ℃. Boiling point 238 °c, 150-151 °c (2.0kPa). The relative density was 1.173. Refractive index 1.6170. Flash point 102 °c. Soluble in ethanol and hydrochloric acid, insoluble in water, pyridine odor.
Use	Used as a reagent for the determination of bismuth and antimony

Hazard Symbols	Xn - Harmful
Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
RTECS	DL5600000
TSCA	Yes
HS Code	29342080

NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Use	the product reacts with sodium potassium iodide to form red or orange-red precipitate, and generates yellow precipitate with antimony, it is used as a reagent for the determination of bismuth and antimony in chemical analysis. The product is toxic, can make the skin allergic reaction.
production method	obtained by cyclization of thioacetanilide. To a 6% solution of thioacetanilide in sodium hydroxide, a pre-cooled 20% potassium ferricyanide solution was added dropwise under cooling. Then, compressed air was passed to the mixed liquid for 2H, and the mixture was allowed to stand for 24h. The precipitated oil was extracted with diethyl ether, the extract was dried and then the diethyl ether was distilled off, and the remainder was distilled under reduced pressure to obtain an oily product. The yield was 30%.

Last Update：2024-04-09 02:00:04

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2-Methylbenzothiazole

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