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ChemicalBook--->CAS DataBase List--->104-96-1

104-96-1

104-96-1 Structure

104-96-1 Structure
IdentificationMore
[Name]

4-(Methylmercapto)aniline
[CAS]

104-96-1
[Synonyms]

4-AMINOTHIOANISOLE
4-(METHYLMERCAPTO)ANILINE
4-(METHYLTHIO)ANILINE
AKOS 91153
P-AMINOTHIOANISOLE
P-(METHYLTHIO)ANILINE
P-THIOANISIDINE
TIMTEC-BB SBB006658
4-(Methylsulfanyl)aniline
4-(methylthio)-benzenamin
4-(Methylthio)benzenamine
4-(Meylthio)benzenamine
Aniline, p-(methylthio)-
Benzenamine, 4-(methylthio)-
p-(methylthio)-anilin
p-Aminophenyl methyl sulfide
p-aminophenylmethylsulfide
p-Thiomethoxyaniline
4-(METHYLTHIO)ANILINE,98%
4-(Methylthio)aniline 98%
[EINECS(EC#)]

203-256-3
[Molecular Formula]

C7H9NS
[MDL Number]

MFCD00007889
[Molecular Weight]

139.22
[MOL File]

104-96-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear orange to brown-red liquid
[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
[pka]

4.35(at 25℃)
[color ]

Clear orange to brown-red
[Sensitive ]

Stench
[BRN ]

774506
[InChI]

InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
[InChIKey]

YKFROQCFVXOUPW-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(SC)C=C1
[CAS DataBase Reference]

104-96-1(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Methylmercaptoaniline(104-96-1)
[EPA Substance Registry System]

104-96-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

BY6302000
[F ]

2-8-10-13
[Hazard Note ]

Irritant/Stench
[TSCA ]

T
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, STENCH
[PackingGroup ]

III
[HS Code ]

29309090
[Toxicity]

LD50 orl-qal: 562 mg/kg AECTCV 12,355,83
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(Methylmercapto)aniline(104-96-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear orange to brown-red liquid
[Definition]

ChEBI: 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 Profile]

Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and SOx.
[Purification Methods]

Purify 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Methylmercapto)aniline(104-96-1)1HNMR
4-(Methylmercapto)aniline(104-96-1)Raman
4-(Methylmercapto)aniline(104-96-1)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Methylmercapto)aniline, 98%(104-96-1)
[Alfa Aesar]

4-(Methylthio)aniline, 98%(104-96-1)
[Sigma Aldrich]

104-96-1(sigmaaldrich)
[TCI AMERICA]

4-(Methylthio)aniline,>98.0%(GC)(T)(104-96-1)
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