| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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.] |
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