4-(Methylmercapto)aniline
Synonym(s):4-(Methylmercapto)aniline;4-Aminothioanisole
- CAS NO.：104-96-1
- Empirical Formula: C7H9NS
- Molecular Weight: 139.22
- MDL number: MFCD00007889
- EINECS: 203-256-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-04 17:34:31
What is 4-(Methylmercapto)aniline?
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.]
Properties of 4-(Methylmercapto)aniline
| Melting point: | 156-158 °C |
| Boiling point: | 272-273 °C(lit.) |
| Density | 1.119 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | >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 |
| CAS DataBase Reference | 104-96-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Methylmercaptoaniline(104-96-1) |
| EPA Substance Registry System | Benzenamine, 4-(methylthio)- (104-96-1) |
Safety information for 4-(Methylmercapto)aniline
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-(Methylmercapto)aniline
| InChIKey | YKFROQCFVXOUPW-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(SC)C=C1 |
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