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.)

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

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

Benzenamine, 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

Toxicity

LD50 orl-qal: 562 mg/kg AECTCV 12,355,83

MSDS

• Language:English Provider:4-(Methylmercapto)aniline
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-(Methylmercapto)aniline Usage And Synthesis

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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