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80-82-0

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80-82-0 Usage

Description

2-Nitrobenzenesulfonic acid, with the molecular formula C6H5NO6S, is a yellow solid that exhibits strong acidic properties. It is soluble in water, alcohol, and acetone, and is primarily recognized for its role as an intermediate in the production of various chemical substances.

Uses

Used in Pharmaceutical Industry:
2-Nitrobenzenesulfonic acid is used as an intermediate for the synthesis of pharmaceuticals, contributing to the development of new drugs and improving existing ones.
Used in Dye and Pigment Industry:
2-NITROBENZENESULFONIC ACID serves as a crucial intermediate in the production of dyes and pigments, enhancing the color properties and stability of these products.
Used in Organic Compound Synthesis:
2-Nitrobenzenesulfonic acid is utilized in the synthesis of various organic compounds, broadening its applications across different chemical sectors.
Used as a Reagent in Chemical Reactions:
Due to its strong acidic nature, 2-Nitrobenzenesulfonic acid is employed as a reagent in a range of chemical reactions, facilitating specific transformations and processes.
Used in Sulfonation Processes:
It is instrumental in the manufacturing of sulfonated dyes and other sulfonated organic compounds, where its acidic properties are leveraged to achieve desired chemical outcomes.
It is important to handle 2-Nitrobenzenesulfonic acid with care, as it can cause irritation to the skin, eyes, and respiratory system upon exposure.

Check Digit Verification of cas no

The CAS Registry Mumber 80-82-0 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 8 and 0 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 80-82:
(4*8)+(3*0)+(2*8)+(1*2)=50
50 % 10 = 0
So 80-82-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H5NO5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,10,11,12)

80-82-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Nitrobenzenesulfonic Acid Hydrate

1.2 Other means of identification

Product number -
Other names 2-NITROBENZENESULFONIC ACID

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:80-82-0 SDS

80-82-0Synthetic route

1-(o-nitrobenzenesulfonoyloxy)-2(1H)-quinolone

1-(o-nitrobenzenesulfonoyloxy)-2(1H)-quinolone

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

2-quinolone
59-31-4, 70254-42-1

2-quinolone

Conditions
ConditionsYield
In methanol; water Quantum yield; UV-irradiation; Photolysis;A 85%
B n/a
2-Nitrobenzenesulfonyl chloride
1694-92-4

2-Nitrobenzenesulfonyl chloride

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Stage #1: 2-Nitrobenzenesulfonyl chloride With N-ethyl-N,N-diisopropylamine; Wang resin In dichloromethane at 22℃;
Stage #2: With trifluoroacetic acid In dichloromethane for 1h; Further stages.;
78%
With sulfuric acid at 25℃; Rate constant; Thermodynamic data; var. conc. of sulfuric acid; other reagent - H2O in dioxane;
With sodium hydrogencarbonate; sodium hydrogensulfite In water at 80℃; for 2h;
N-methyl-N-4'-ethoxycarbonylphenyl 2-nitrobenzenesulfenanilide
106411-90-9

N-methyl-N-4'-ethoxycarbonylphenyl 2-nitrobenzenesulfenanilide

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
In acetonitrile Ambient temperature; electrolysis, electrolyte: 0.1 M NaOClO4, 1.55 V;70.5%
bis(2-nitrophenyl)disulfide
1155-00-6

bis(2-nitrophenyl)disulfide

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With nitric acid
With nitric acid
With hydrogenchloride; sodium chlorate In water at 60 - 90℃;4550 kg
benzenesulfonic acid
98-11-3

benzenesulfonic acid

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Nitrierung;
benzenesulfonic acid
98-11-3

benzenesulfonic acid

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

p-nitrobenzenesulfonic acid
138-42-1

p-nitrobenzenesulfonic acid

C

3-Nitrobenzenesulfonic acid
98-47-5

3-Nitrobenzenesulfonic acid

Conditions
ConditionsYield
With nitric acid
2-Nitro-benzenesulfonic acid allyl ester

2-Nitro-benzenesulfonic acid allyl ester

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

allyl alcohol
107-18-6

allyl alcohol

Conditions
ConditionsYield
With water at 10 - 40℃; Rate constant; Thermodynamic data; Ea, ΔF(excit.), ΔH(excit.), -ΔS(excit.);
2-Nitro-benzenesulfonic acid prop-2-ynyl ester

2-Nitro-benzenesulfonic acid prop-2-ynyl ester

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

propargyl alcohol
107-19-7

propargyl alcohol

Conditions
ConditionsYield
With water at 30 - 60℃; Rate constant; Thermodynamic data; Ea, ΔF(excit.), ΔH(excit.), -ΔS(excit.);
n-propyl 2-nitrobenzenesulfonate

n-propyl 2-nitrobenzenesulfonate

A

propan-1-ol
71-23-8

propan-1-ol

B

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With water at 40 - 70℃; Rate constant; Thermodynamic data; Ea, ΔF(excit.), ΔH(excit.), -ΔS(excit.);
2-Nitro-benzenesulfonic acid isobutyl ester

2-Nitro-benzenesulfonic acid isobutyl ester

A

2-methyl-propan-1-ol
78-83-1

2-methyl-propan-1-ol

B

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With water at 40 - 70℃; Rate constant; Thermodynamic data; Ea, ΔF(excit.), ΔH(excit.), -ΔS(excit.);
<2-nitro-phenyl>-phenyl-iodonium-bromide

<2-nitro-phenyl>-phenyl-iodonium-bromide

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With water; sodium sulfite
benzenesulfonic acid
98-11-3

benzenesulfonic acid

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

m and p compound

m and p compound

Conditions
ConditionsYield
With nitric acid
benzene
71-43-2

benzene

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfuric acid
2: Nitrierung
View Scheme
o-(2-nitrobenzenesulfonoxy) acetanilide
924057-07-8

o-(2-nitrobenzenesulfonoxy) acetanilide

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

2-(acetylamino)phenol
614-80-2

2-(acetylamino)phenol

Conditions
ConditionsYield
With water In methanol for 1.25h; UV-irradiation;A 90 %Spectr.
B n/a
o-(2-nitrobenzenesulfonoxy) benzanilide
1309926-95-1

o-(2-nitrobenzenesulfonoxy) benzanilide

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

N-(2-hydroxyphenyl)benzamide
3743-70-2

N-(2-hydroxyphenyl)benzamide

Conditions
ConditionsYield
With water In methanol for 0.75h; UV-irradiation;A 95 %Spectr.
B n/a
C14H12N2O6S

C14H12N2O6S

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

2-(acetylamino)phenol
614-80-2

2-(acetylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dichloromethane / 20 °C
2: water / methanol / 1.25 h / UV-irradiation
View Scheme
C19H14N2O6S

C19H14N2O6S

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

N-(2-hydroxyphenyl)benzamide
3743-70-2

N-(2-hydroxyphenyl)benzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dichloromethane / 12 h / 20 °C
2: water / methanol / 0.75 h / UV-irradiation
View Scheme
1-hydroxycarbostyril
58-57-1

1-hydroxycarbostyril

2-Nitrobenzenesulfonyl chloride
1694-92-4

2-Nitrobenzenesulfonyl chloride

A

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

B

2-quinolone
59-31-4, 70254-42-1

2-quinolone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / dichloromethane / 20 °C
2: water; methanol / UV-irradiation; Photolysis
View Scheme
2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium disulfide / water / 60 - 90 °C / Large scale
2: hydrogenchloride; sodium chlorate / water / 60 - 90 °C
View Scheme
With hydrogenchloride; sulfuric acid; nitric acid under 75.0075 Torr; for 0.5h; Inert atmosphere;
C6H5NO5S*C12H23N

C6H5NO5S*C12H23N

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With sodium hydroxide In water Large scale;1653 kg
2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

2-amino-1-benzenesulfonic acid
88-21-1

2-amino-1-benzenesulfonic acid

Conditions
ConditionsYield
With hydrogen at 120℃; under 30003 - 37503.8 Torr; for 0.75h; Reflux;97%
With Raney nickel at 90 - 120℃; under 6000.6 - 9750.98 Torr;4200 kg
2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

o-nitrobenzenesulfonyl azide
6655-31-8

o-nitrobenzenesulfonyl azide

Conditions
ConditionsYield
With sodium azide; trichloroacetonitrile; triphenylphosphine In acetonitrile at 20℃; for 0.5h;93%
With sodium azide; trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 20℃;
2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

ethanolamine
141-43-5

ethanolamine

2-[(2-nitrophenyl)amino]ethanol
4926-55-0

2-[(2-nitrophenyl)amino]ethanol

Conditions
ConditionsYield
In dimethyl sulfoxide at 150℃; for 12h; Green chemistry;74%
(phenylthio)acetonitrile
5219-61-4

(phenylthio)acetonitrile

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

A

2-nitro-5-cyanomethylbenzenesulfonic acid
127204-86-8

2-nitro-5-cyanomethylbenzenesulfonic acid

B

2-nitro-3-cyanomethylbenzenesulfonic acid
127204-87-9

2-nitro-3-cyanomethylbenzenesulfonic acid

Conditions
ConditionsYield
With hydrogenchloride; potassium tert-butylate 1.) DMF, 30 deg C, 45, min, 2.) DMF, ether, 40 deg C; Yield given. Multistep reaction. Yields of byproduct given;
chloromethyl phenyl sulfone
7205-98-3

chloromethyl phenyl sulfone

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

A

2-nitro-3-phenylsulfonylmethylbenzenesulfonic acid
127204-85-7

2-nitro-3-phenylsulfonylmethylbenzenesulfonic acid

B

2-nitro-5-phenylsulfonylmethylbenzenesulfonic acid
127204-84-6

2-nitro-5-phenylsulfonylmethylbenzenesulfonic acid

Conditions
ConditionsYield
With hydrogenchloride; potassium tert-butylate 1.) DMF, 30 deg C, 45, min, 2.) DMF, ether, 40 deg C; Yield given. Multistep reaction. Yields of byproduct given;
tetradecylamine
2016-42-4

tetradecylamine

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Tetradecylammonium o-nitrobenzenesulfonate

Tetradecylammonium o-nitrobenzenesulfonate

Conditions
ConditionsYield
In methanol
hexadecylamine
143-27-1

hexadecylamine

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Hexadecylamine; compound with 2-nitro-benzenesulfonic acid

Hexadecylamine; compound with 2-nitro-benzenesulfonic acid

Conditions
ConditionsYield
In methanol
1-pentadecylamine
2570-26-5

1-pentadecylamine

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Pentadecylammonium o-nitrobenzenesulfonate

Pentadecylammonium o-nitrobenzenesulfonate

Conditions
ConditionsYield
In methanol
1-heptadecanamine
4200-95-7

1-heptadecanamine

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

Heptadecylamine; compound with 2-nitro-benzenesulfonic acid

Heptadecylamine; compound with 2-nitro-benzenesulfonic acid

Conditions
ConditionsYield
In methanol
2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

1-aminooctadecane
124-30-1

1-aminooctadecane

Octadecylammonium o-nitrobenzenesulfonate

Octadecylammonium o-nitrobenzenesulfonate

Conditions
ConditionsYield
In methanol
2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

KOH

KOH

A

ammonia
7664-41-7

ammonia

B

oxalic acid
144-62-7

oxalic acid

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

tin oxide

tin oxide

A

azoxy compound

azoxy compound

B

azo compound

azo compound

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

ammonium sulfide

ammonium sulfide

o-amino-benzenesulfonic acid

o-amino-benzenesulfonic acid

hydrogenchloride
7647-01-0

hydrogenchloride

2-nitrobenzenesulfonic acid
80-82-0

2-nitrobenzenesulfonic acid

tin dichloride

tin dichloride

o-amino-benzenesulfonic acid

o-amino-benzenesulfonic acid

80-82-0Relevant articles and documents

Lowe

, p. 2061 (1976)

Aryl sulfonic acid ammonium salt compound, preparation method and application thereof (by machine translation)

-

Paragraph 0027; 0036, (2018/03/25)

The invention discloses a aryl sulfonic acid ammonium salt compound, preparation method and application thereof, the main process expressed as follows: formula (I) indicated by the aryl sulfonic acid compound crude product as raw material, in the solvent with the structural formula (II) shown in mixed organic amine, to form the structural formula (III) as shown by a aryl sulfonic acid ammonium salt; the resulting structural formula (III) aryl sulfonic acid ammonium salt shown by the alkali soluble acid or directly to obtain the acid of formula (I) shown in the purification of compounds such as aryl sulfonic acid. The invention is primarily embodied in the [...]: through the low quality aryl sulfonic acid compound refining, effectively reduces the content of harmful impurities, improve the quality of the aryl sulfonic acid compound, reducing the pressure of the downstream use, the process is stable. (by machine translation)

Development of 1-Hydroxy-2(1H)-quinolone-Based Photoacid Generators and Photoresponsive Polymer Surfaces

Ikbal, Mohammed,Banerjee, Rakesh,Atta, Sanghamitra,Jana, Avijit,Dhara, Dibakar,Anoop, Anakuthil,Singh, N. D. Pradeep

, p. 11968 - 11975 (2012/10/29)

A new class of carboxylate and sulfonate esters of 1-hydroxy-2(1H)- quinolone has been demonstrated as nonionic photoacid generators (PAGs). Irradiation of carboxylates and sulfonates of 1-hydroxy-2(1H)-quinolone by UV light (γ≥310 nm) resulted in homolysis of weak N-O bond leading to efficient generation of carboxylic and sulfonic acids, respectively. The mechanism for the homolytic N-O bond cleavage was supported by time-dependent DFT calculations. Photoresponsive 1-(p-styrenesulfonyloxy)-2-quinolone-methyl methacrylate (SSQL-MMA) and 1-(p-styrenesulfonyloxy)-2-quinolone-lauryl acrylate (SSQL-LA) copolymers were synthesized from PAG monomer 1-(p-styrenesulfonyloxy) -2-quinolone, and subsequently controlled surface wettability was demonstrated for the above-mentioned photoresponsive polymers. Copyright

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