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Sodium 3-nitrobenzenesulphonate

Product Name
Sodium 3-nitrobenzenesulphonate
CAS No.
127-68-4
Chemical Name
Sodium 3-nitrobenzenesulphonate
Synonyms
RESIST SALT;SODIUM 3-NITROBENZENESULFONATE;3-NITROBENZENESULFONIC ACID SODIUM SALT;ludigol;3-Nitrobenzenesulfonate;3-nitrobenzenesulphonate;tiskan;SODIUM M-NITROBENZENESULFONATE;SMNBS;Ludigo
CBNumber
CB4193939
Molecular Formula
C6H4NNaO5S
Formula Weight
225.15
MOL File
127-68-4.mol
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Sodium 3-nitrobenzenesulphonate Property

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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H317May cause an allergic skin reaction

H319Causes serious eye irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.06548
Product name
3-Nitrobenzenesulfonic acid sodium salt
Purity
for synthesis
Packaging
100g
Price
$29.3
Updated
2025/07/31
Sigma-Aldrich
Product number
8.06548
Product name
3-Nitrobenzenesulfonic acid sodium salt
Purity
for synthesis
Packaging
1kg
Price
$80.9
Updated
2025/07/31
Sigma-Aldrich
Product number
225193
Product name
Sodium 3-nitrobenzenesulfonate
Purity
98%
Packaging
100g
Price
$48.2
Updated
2025/07/31
Sigma-Aldrich
Product number
225193
Product name
Sodium 3-nitrobenzenesulfonate
Purity
98%
Packaging
500g
Price
$74.4
Updated
2025/07/31
TCI Chemical
Product number
N0141
Product name
Sodium 3-Nitrobenzenesulfonate
Purity
>95.0%(T)
Packaging
25g
Price
$19
Updated
2025/07/31
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Sodium 3-nitrobenzenesulphonate Chemical Properties,Usage,Production

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

98-95-3

127-68-4

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

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Sodium 3-nitrobenzenesulphonate Suppliers

CAS Organic Company
Tel
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Fax
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Email
Sales@casorganic.com
Country
Ukraine
ProdList
5026
Advantage
34
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View Lastest Price from Sodium 3-nitrobenzenesulphonate manufacturers

Jinan Finer Chemical Co., Ltd
Product
Sodium 3-nitrobenzenesulphonate 127-68-4
Price
US $1.00/kg
Min. Order
1kg
Purity
≥99%
Supply Ability
1000mt/year
Release date
2022-09-29
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
3-Nitrobenzenesulfonic Acid Sodium Salt 127-68-4
Price
US $70.00/kg
Min. Order
1kg
Purity
99
Supply Ability
5000
Release date
2024-06-06
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Sodium 3-Nitrobenzenesulphonate 127-68-4
Price
US $180.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-06-06

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