Sodium 3-nitrobenzenesulphonate Chemical Properties

Melting point:

350 °C

Boiling point:

217.5°C

Density 

0.45 g/cm3 (20 °C)

bulk density

450kg/m3

vapor pressure 

10.3Pa at 25℃

Flash point:

100 °C

storage temp. 

Store below +30°C.

solubility 

water: soluble50mg/mL, clear to slightly hazy, faintly yellow to yellow

form 

Crystalline Powder

pka

0[at 20 ℃]

color 

Light yellow

PH

8 (50g/l, H2O, 23℃)

Water Solubility 

200 g/L (20 ºC)

Sensitive 

Hygroscopic

BRN 

3639982

Stability:

Stable. Hygroscopic. Incompatible with strong oxidizing agents.

InChIKey

LJRGBERXYNQPJI-UHFFFAOYSA-M

LogP

-2.61 at 25℃

CAS DataBase Reference

127-68-4(CAS DataBase Reference)

EPA Substance Registry System

Sodium 3-Nitrobenzenesulfonate (127-68-4)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36-43

Safety Statements 

24-26-37

WGK Germany 

1

RTECS 

DB7195000

Autoignition Temperature

355 °C

TSCA 

Yes

HS Code 

29049085

Hazardous Substances Data

127-68-4(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: > 2000 mg/kg

MSDS

• Language:English Provider:3-Nitrobenzenesulfonic acid sodium salt
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Sodium 3-nitrobenzenesulphonate Usage And Synthesis

Chemical Properties

solid

Uses

Sodium 3-nitrobenzenesulfonate is a reagent in the synthesis of azetidinyl ketolides for treatment of susceptible and multidrug resistant community-acquired respiratory tract infections.

Flammability and Explosibility

Non flammable

Synthesis

1) In a 500 mL four-neck flask equipped with a thermometer, mechanical stirrer and exhaust gas absorption device, 246 g (2.0 mol) of nitrobenzene and 139 g (1.2 mol) of chlorosulfonic acid were added. Stirring was initiated and heated to 120 °C, and the sulfonation reaction was maintained at this temperature for 3 hours. The hydrogen chloride gas generated during the reaction was introduced into 200 mL of deionized water through the tail gas absorption device, and finally an aqueous hydrogen chloride solution with a mass concentration of 17.5% was obtained. (2) After the reaction was completed, the reaction mixture was cooled to room temperature, 500 mL of water and 63.6 g (0.6 mol) of sodium carbonate were added and stirred thoroughly. The oil layer was separated after standing. The oil layer was washed three times with 500 mL of water and subsequently dried over 35 g of molecular sieves to give 95 g of recovered nitrobenzene with 99.3% purity. The aqueous layer solution was dried by a spray drying unit (feed rate 15-20 mL/min, inlet temperature 300 °C, outlet temperature 100 °C) to give 266 g of dried sodium nitrobenzenesulfonate product with 99.0% purity and 98.4% yield (in terms of consumed nitrobenzene).

References

[1] Patent: CN108997175, 2018, A. Location in patent: Paragraph 0046-0059; 0062-0066

Sodium 3-nitrobenzenesulphonate(127-68-4)Related Product Information

• Diclofenac sodium
• Sodium chloride
• Sodium acetate
• 1-Chloro-3-nitrobenzene
• Sodium benzoate
• Sodium chlorite
• Sodium hydroxide
• Sodium lignosulfonate
• Sodium bicarbonate
• 3-Nitrobenzaldehyde
• Sodium sulfate
• 3,4-Difluoronitrobenzene
• Sodium citrate
• 1-DODECANESULFONIC ACID SODIUM SALT
• Sodium 3-nitrobenzoate
• 3-SULFAMOYL-BENZOIC ACID
• Sodium 3-mercaptopropanesulphonate
• Sodium 2-ethylhexanoate