ChemicalBook Product Catalog Chemical Reagents Organic reagents Thiol / thiol 4-(Methylmercapto)aniline

4-(Methylmercapto)aniline

4-(Methylmercapto)aniline Basic information
Product Name:4-(Methylmercapto)aniline
Synonyms:p-MethylsulfanylphenylaMine;4-(Methylmercapto)aniline, 4-Aminothioanisole, 4-(Methylsulphanyl)aniline;4-(Methylsulfanyl)aniline;4-(methylthio)-benzenamin;4-(Methylthio)benzenamine;4-(Meylthio)benzenamine;Aniline, p-(methylthio)-;Benzenamine, 4-(methylthio)-
CAS:104-96-1
MF:C7H9NS
MW:139.22
EINECS:203-256-3
Product Categories:Building Blocks;Amines;Miscellaneous;Chemical Synthesis;Organic Building Blocks;Sulfides/Disulfides;Sulfur Compounds
Mol File:104-96-1.mol
4-(Methylmercapto)aniline Structure
4-(Methylmercapto)aniline Chemical Properties
Melting point 156-158 °C
Boiling point 272-273 °C(lit.)
density 1.119 g/mL at 25 °C(lit.)
refractive index n20/D 1.639(lit.)
Fp >230 °F
storage temp. Keep in dark place,Inert atmosphere,Room temperature
form Liquid
pka4.35(at 25℃)
color Clear orange to brown-red
Sensitive Stench
BRN 774506
InChIInChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKeyYKFROQCFVXOUPW-UHFFFAOYSA-N
SMILESC1(N)=CC=C(SC)C=C1
CAS DataBase Reference104-96-1(CAS DataBase Reference)
NIST Chemistry Reference4-Methylmercaptoaniline(104-96-1)
EPA Substance Registry SystemBenzenamine, 4-(methylthio)- (104-96-1)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-22
Safety Statements 26-36-37/39
RIDADR 2810
WGK Germany 3
RTECS BY6302000
F 2-8-10-13
Hazard Note Irritant/Stench
TSCA T
HazardClass IRRITANT, STENCH
HazardClass 6.1
PackingGroup III
HS Code 29309090
ToxicityLD50 orl-qal: 562 mg/kg AECTCV 12,355,83
MSDS Information
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4-(Methylmercapto)aniline Usage And Synthesis
Chemical Propertiesclear orange to brown-red liquid
DefinitionChEBI: 4-(methylthio) aniline is an aryl sulfide.
Synthesis Reference(s)Tetrahedron Letters, 35, p. 7867, 1994 DOI: 10.1016/0040-4039(94)80139-8
Safety ProfileModerately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and SOx.
Purification MethodsPurify the aniline by fractional distillation in an inert atmosphere. The hydrochloride has m 242-246o (from aqueous EtOH/HCl). The sulfone has m 137o (from H2O), pK2 5 1.48, and the sulfone hydrochloride has m 260-261o (from aqueous EtOH/HCl). [Lumbroso & Passerini Bull Soc Chim Fr 311 1957, Mangini & Passerini J Chem Soc 4954 1956, Beilstein 13 H 533, 13 II 297, 13 IV 1221.]
4-(Methylmercapto)aniline Preparation Products And Raw materials
Raw materials1-(4-methylsulfanylphenyl)ethanol-->4-NITROTHIOANISOLE
Preparation Products6-(methylthio)-4-Quinolinol-->2-CHLORO-N-[4-(METHYLTHIO)PHENYL]ACETAMIDE
MMTS 2,4-bis(methylsulphonyl)phenylhydrazine 4-HEXADECYLSULFONYLANILINE 3,3',5,5'-Tetramethylbenzidine dihydrochloride POLY(1,4-PHENYLENE SULFIDE) Anise oil ACID YELLOW 38 (METHYLMERCAPTO)ANILINE 4-AMINO-4'-NITRODIPHENYL SULFIDE ISOMETHIOZIN POLY(1,4-PHENYLENE SULFIDE) [4-(Methylsulfonyl)phenyl]hydrazine hydrochloride 2-AMINO-5-(4-NITROPHENYLSULFONYL)THIAZOLE 2-NITRO-5-THIOCYANATOBENZOIC ACID ANILINE BLACK 3-ACETAMIDOTHIOANISOLE 4-(Methylmercapto)aniline 2,6-dichloro-4-mesylaniline
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