2-CHLORO-4-(METHYLSULFONYL)ANILINE
- CAS NO.:13244-35-4
- Empirical Formula: C7H8ClNO2S
- Molecular Weight: 205.66
- MDL number: MFCD00152349
- EINECS: 236-225-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-27 16:27:43
What is 2-CHLORO-4-(METHYLSULFONYL)ANILINE?
Chemical properties
pale purple to grey-brown crystalline powder
The Uses of 2-CHLORO-4-(METHYLSULFONYL)ANILINE
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.
Properties of 2-CHLORO-4-(METHYLSULFONYL)ANILINE
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. | 2-8°C |
pka | -0.60±0.10(Predicted) |
form | Crystalline Powder |
color | Pale purple to gray-brown |
CAS DataBase Reference | 13244-35-4(CAS DataBase Reference) |
EPA Substance Registry System | Benzenamine, 2-chloro-4-(methylsulfonyl)- (13244-35-4) |
Safety information for 2-CHLORO-4-(METHYLSULFONYL)ANILINE
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for 2-CHLORO-4-(METHYLSULFONYL)ANILINE
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