51333-80-3

51333-80-3 - Names and Identifiers

Name	3-(Methylthio)phenyl isothiocyanate
Synonyms	3-(Methylthio)phenyl isothiocyanate 3-(METHYLTHIO)PHENYL ISOTHIOCYANATE 1-isothiocyanato-3-(methylthio)benzene (3-isothiocyanatophenyl)(methyl)sulfane 1-ISOTHIOCYANATO-3-METHYLSULFANYL-BENZENE Benzene, 1-isothiocyanato-3-(methylthio)- 1-isothiocyanato-3-(methylsulfanyl)benzene
CAS	51333-80-3
InChI	InChI=1/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

51333-80-3 - Physico-chemical Properties

Molecular Formula	C8H7NS2
Molar Mass	181.28
Density	1.211g/mLat 25°C(lit.)
Boling Point	306-307°C(lit.)
Flash Point	>230°F
Vapor Presure	0.00145mmHg at 25°C
Specific Gravity	1.22
BRN	2208144
Storage Condition	Keep Cold
Sensitive	Moisture Sensitive
Refractive Index	n20/D >1.3930(lit.)
MDL	MFCD00041079

51333-80-3 - Risk and Safety

Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation
Safety Description	S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
UN IDs	2810
WGK Germany	3
HS Code	29309090
Hazard Class	6.1
Packing Group	III

51333-80-3 - Introduction

3-(Methylthio)phenyl isothiocyanate is an organic compound with the chemical formula C8H7NS2. It is a pale yellow liquid with a strong pungent odor.

3-(Methylthio)phenyl isothiocyanate is mainly used as a reagent in organic synthesis. It can be used to generate thioanthraquinone compounds and also to synthesize other drugs and compounds. Due to its unique reactivity, it has a wide range of applications in organic synthesis.

The method for preparing 3-(Methylthio)phenyl isothiocyanate is obtained by reacting thiol and ammonium trithiocyanate in the presence of phenol under certain temperature and pH conditions. Care is required during the synthesis because 3-(Methylthio)phenyl isothiocyanate has a pungent odor and possible irritation.

When using 3-(Methylthio)phenyl isothiocyanate, care should be taken to prevent contact with skin, eyes and respiratory tract. Wear protective glasses, gloves and respiratory protective equipment during use. Good laboratory safety practices were followed when handling the compound.

Last Update：2024-04-09 21:04:16

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