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HomeProduct name list2-CHLORO-4-(METHYLSULFONYL)ANILINE

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
2-CHLORO-4-(METHYLSULFONYL)ANILINE Structural

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

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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)
ghs
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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