| Identification | More | [Name]
2-CHLORO-4-(METHYLSULFONYL)ANILINE | [CAS]
13244-35-4 | [Synonyms]
2-CHLORO-4-(METHYLSULFONYL)ANILINE
2-CHLORO-4-METHYLSULPHONYLANILINE
LABOTEST-BB LT00441295
TIMTEC-BB SBB003494
2-chloro-4-(methylsulfonyl)-anilin
2-chloro-4-(methylsulfonyl)-benzenamin
4-amino-3-chlorofenylomethylosulfon
4-amino-3-chlorophenylmethylsulfone
4-amino-3-chlorophenylmethylsulphone
2-chloro-4-mesylaniline
2-chloro-4-(methylsulfony)benzenamine
2-CHLORO-4-METHYLSULPHONYLANILINE 95% | [EINECS(EC#)]
236-225-8 | [Molecular Formula]
C7H8ClNO2S | [MDL Number]
MFCD00152349 | [Molecular Weight]
205.66 | [MOL File]
13244-35-4.mol |
| Chemical Properties | Back Directory | [Appearance]
pale purple to grey-brown crystalline powder | [Melting point ]
191-198 °C
| [Boiling point ]
400.1±45.0 °C(Predicted) | [density ]
1.2326 (rough estimate) | [refractive index ]
1.6000 (estimate) | [storage temp. ]
Sealed in dry,2-8°C | [form ]
Crystalline Powder | [pka]
-0.60±0.10(Predicted) | [color ]
Pale purple to gray-brown | [InChI]
InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 | [InChIKey]
VLMRGLCBIFWPGL-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(S(C)(=O)=O)C=C1Cl | [CAS DataBase Reference]
13244-35-4(CAS DataBase Reference) | [EPA Substance Registry System]
Benzenamine, 2-chloro-4-(methylsulfonyl)- (13244-35-4) |
| Hazard Information | Back Directory | [Chemical Properties]
pale purple to grey-brown crystalline powder | [Uses]
2-Chloro-4-methylsulphonylaniline can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and pharmaceutical and chemical production processes. | [Synthesis]
A mixture of 2-chloro-4-methylsulfonyl-1- nitro-benzene (4.5 g, 19.10 mmol, 1 eq.) in EtOH (40 mL) and a saturated NH4Cl solution (10 mL) was heated to 90 °C, and then Fe (3.20 g, 57.29 mmol, 3 eq.) was added in one portion. The reaction mixture was stirred at 90 °C for 1 h, after which time TLC analysis (PE:EtOAc = 1:1, Rf(starting material) = 0.7, Rf(product) = 0.31) indicated that the reaction was complete. The reaction was diluted with water (50 mL) and extracted with EtOAc (100 mL x 3). The combined organic layers were washed with water (50 mL x 3) and brine (50 mL x 2), dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by column chromatography (SiO2, PE:EtOAc = 4:1 to 2:1) to provide 2-chloro-4-methylsulfonyl-aniline (3.7 g, 17.99 mmol, 94.21% yield) as an off-white solid. |
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J & K SCIENTIFIC LTD.
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