4-Nitrobenzenesulfonic acid supplier

Name
4-NITROBENZENESULFONIC ACID
EINECS 205-329-5
CAS No. 138-42-1
Article Data74
CAS DataBase
Density 1.637 g/cm³
Solubility 476g/L(100.5 oC)
Melting Point 105-112 °C
Formula C₆H₅NO₅S
Boiling Point
Molecular Weight 203.175
Flash Point
Transport Information UN 2305
Appearance beige to yellow-orange crystalline powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi, C
Synonyms Benzenesulfonicacid, p-nitro- (6CI,7CI,8CI);4-Nitrophenylsulfonic acid;NSC 5376;p-Nitrobenzenesulfonic acid;p-Nitrophenylsulfonic acid;
PSA 108.57000
LogP 2.44550

Synthetic route

: 100-32-3
di(p-nitrophenyl) disulfide

: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII) In dichloromethane; acetonitrile at 20℃; for 1h;	96%
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.08333h; Micellar solution;	93%
With nitric acid
With nitric acid

: 78846-76-1
2-chloro-4-nitrobenzene sulfonic acid

: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 42℃; for 1.25h; Temperature;	93%

: 1849-36-1
para-nitrobenzenethiol

: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII) In chloroform; acetonitrile at 20℃;	92%
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.16667h; Micellar solution;	91%

: 98-74-8
4-Nitrobenzenesulfonyl chloride

: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
Stage #1: 4-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.;	74%
With water In 1,4-dioxane at 29.9℃; Rate constant; Mechanism; Thermodynamic data; kinetics; other temperatures; ΔH(excit.), ΔS(excit.);
With water In 1,4-dioxane at 39.9℃; Rate constant;

: 6209-72-9
4-nitrobenzenesulfonyl peroxide

: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
In chloroform for 168h; Ambient temperature;	72%
With benzyl alcohol In ethyl acetate; benzene

: 98-95-3
nitrobenzene

: 138-42-1
p-nitrobenzenesulfonic acid

: 98-95-3
nitrobenzene

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 98-47-5
3-Nitrobenzenesulfonic acid

Conditions

Conditions	Yield
beim Sulfurieren;

: 98-11-3
benzenesulfonic acid

A: 80-82-0
2-nitrobenzenesulfonic acid

B: 138-42-1
p-nitrobenzenesulfonic acid

C: 98-47-5
3-Nitrobenzenesulfonic acid

Conditions

Conditions	Yield
With nitric acid

...Expand

: 121-57-3
4-aminobenzene sulfonic acid

: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
With copper(I) oxide; nitric acid; sodium nitrite
With dihydrogen peroxide In acetic acid at 70 - 80℃; for 3.75h;
With Streptomyces thioluteus para-aminobenzoate N-oxygenase

: 110-91-8
morpholine

: 114466-93-2
C12H17N2O5S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: C6H12N*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 110-91-8
morpholine

: 114466-88-5
C12H17N2O5S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 62498-21-9
C6H12N*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 110-91-8
morpholine

: 80953-40-8
C13H11N2O5S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 16118-22-2, 36112-27-3, 36112-28-4
C7H6N*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 110-91-8
morpholine

: 114467-03-7
C14H13N2O5S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 45708-98-3, 91854-78-3
C8H8N*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 110-91-8
morpholine

: 114466-98-7
C9H8F3N2O5S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: C3H3F3N*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 110-91-8
morpholine

: 114467-12-8
C13H10N3O7S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 67490-46-4
C7H5N2O2*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 110-91-8
morpholine

: 114467-07-1
C14H10F3N2O5S*H(1+)

A: 138-42-1
p-nitrobenzenesulfonic acid

B: C8H5F3N*H(1+)

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate at -10℃; Kinetics;

...Expand

: 67-56-1
methanol

: 33420-11-0
allyl-4-nitrophenylsulfonate

A: 627-40-7
methylallylether

B: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;

...Expand

: 67-56-1
methanol

: 6214-20-6
methyl 4-nitrobenzenesulfonate

A: 115-10-6
Dimethyl ether

B: 138-42-1
p-nitrobenzenesulfonic acid

...Expand

: 67-56-1
methanol

: 15481-55-7
4-Nitrobenzenesulfonic acid ethyl ester

A: 540-67-0
ethyl methyl ether

B: 138-42-1
p-nitrobenzenesulfonic acid

...Expand

: 67-56-1
methanol

: 134906-54-0
4-Nitro-benzenesulfonic acid 1-methyl-2-phenyl-ethyl ester

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 10066-31-6
methyl 1-phenyl-2-propyl ether

Conditions

Conditions	Yield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;

...Expand

: 67-56-1
methanol

: 134906-51-7
4-Nitro-benzenesulfonic acid 1-methyl-2-p-tolyl-ethyl ester

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 1-(2-Methoxy-propyl)-4-methyl-benzene

Conditions

Conditions	Yield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;

...Expand

: 67-56-1
methanol

: 134906-57-3
4-Nitro-benzenesulfonic acid 2-(4-chloro-phenyl)-1-methyl-ethyl ester

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 1-Chloro-4-(2-methoxy-propyl)-benzene

Conditions

Conditions	Yield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;

...Expand

: 67-56-1
methanol

: 133586-93-3
4-Nitro-benzenesulfonic acid 2-(4-methoxy-phenyl)-1-methyl-ethyl ester

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 65725-89-5
1-(4-Methoxyphenyl)-2-methoxypropane

Conditions

Conditions	Yield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;

...Expand

: 67-56-1
methanol

: 134906-60-8
4-Nitro-benzenesulfonic acid 1-methyl-2-(4-nitro-phenyl)-ethyl ester

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 1-(2-Methoxy-propyl)-4-nitro-benzene

Conditions

Conditions	Yield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;

...Expand

: 67-56-1
methanol

: (indan-2-yl) 4-nitrobenzenesulfonate

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 81887-53-8
indan-2-yl methyl ether

C: 95-13-6
1-indene

Conditions

Conditions	Yield
at 45℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); var. temp.; also in the aq. MeOH;

...Expand

: 67-56-1
methanol

: 5-bromoindan-2-yl nitrobenzene-p-sulfonate

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 33065-61-1
6-bromo-1H-indene

C: 5-bromo-2-methoxy-2,3-dihydro-1H-indene

Conditions

Conditions	Yield
at 45℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); var. temp.; also in the aq. MeOH;

...Expand

: 67-56-1
methanol

: 5-nitroindan-2-yl nitrobenzene-p-sulfonate

A: 138-42-1
p-nitrobenzenesulfonic acid

B: 75476-80-1
6-Nitroindene

C: 119273-93-7
2-methoxy-5-nitro-2,3-dihydro-1H-indene

Conditions

Conditions	Yield
at 45℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); also with aq. MeOH;

...Expand

: 64-18-6
formic acid

: 33420-11-0
allyl-4-nitrophenylsulfonate

A: 1838-59-1
3-formyloxy-propene

B: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;

...Expand

: 64-17-5
ethanol

: 33420-11-0
allyl-4-nitrophenylsulfonate

A: 557-31-3
3-ethoxyprop-1-ene

B: 138-42-1
p-nitrobenzenesulfonic acid

Conditions

Conditions	Yield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;

...Expand

: 138-42-1
p-nitrobenzenesulfonic acid

: 121-57-3
4-aminobenzene sulfonic acid

Conditions

Conditions	Yield
With hydrazine In ethanol at 80℃; for 0.166667h; Catalytic behavior; chemoselective reaction;	99.9%
With ammonium sulfide
With hydrogenchloride; tin(ll) chloride

: 84255-05-0
C23H30N2O2*ClH

: 138-42-1
p-nitrobenzenesulfonic acid

: 1225323-79-4
4-[(1-oxopropyl)phenylamino]-4-methoxymethyl piperidine nosylate

Conditions

Conditions	Yield
Stage #1: C23H30N2O2*ClH With hydrogen; palladium 10% on activated carbon In water; acetic acid at 60℃; under 863.483 - 915.2 Torr; for 12h; Stage #2: With sodium hydroxide In water at 5 - 30℃; Stage #3: p-nitrobenzenesulfonic acid In n-heptane; ethyl acetate at 40 - 50℃; Product distribution / selectivity;	97%

: 609-14-3
2-acetylpropanoic acid ethyl ester

: 138-42-1
p-nitrobenzenesulfonic acid

: 124716-85-4
Ethyl 2-<<(p-nitrophenyl)sulfonyl>oxy>-2-methylacetoacetate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	95%

: 138-42-1
p-nitrobenzenesulfonic acid

: 98-74-8
4-Nitrobenzenesulfonyl chloride

Conditions

Conditions	Yield
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; potassium chloride at 25℃; for 0.0333333h; Neat (no solvent);	95%

: 138-42-1
p-nitrobenzenesulfonic acid

: 2235-46-3
N,N-diethyl-3-oxobutanamide

: 135878-39-6
N,N-diethyl-2-((p-nitrobenzenesulfonyl)oxy)-3-oxobutanamide

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	93%

: 138-42-1
p-nitrobenzenesulfonic acid

: 123-54-6
acetylacetone

: 124716-87-6
2-<<(p-Nitrophenyl)sulfonyl>oxy>-2,4-pentanedione

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	93%

: 109-99-9
tetrahydrofuran

: 138-42-1
p-nitrobenzenesulfonic acid

: 94-41-7
benzalacetophenone

: 4-(2-bromo-3-oxo-1,3-diphenylpropoxy)butyl 4-nitrobenzenesulfonate

Conditions

Conditions	Yield
With N-Bromosuccinimide; zinc(II) chloride for 40h; Inert atmosphere; diastereoselective reaction;	93%

...Expand

: 109-99-9
tetrahydrofuran

: 138-42-1
p-nitrobenzenesulfonic acid

: 94-41-7
benzalacetophenone

: C25H24BrNO7S

Conditions

Conditions	Yield
With N-chloro-succinimide at -35℃; for 24h; Inert atmosphere;	93%

...Expand

: 948895-92-9
(2'S,5S)-9-fluoro-6,7-dihydro-8-(4-(N-tert-butoxycarbonyl-L-alaninyl-oxy)-piperidin-1-yl)-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid

: 138-42-1
p-nitrobenzenesulfonic acid

: (2'S,5S)-9-fluoro-6,7-dihydro-8-{4-(L-alaninyloxy)-piperidin-1-yl}-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid nitrobenzenesulfonic acid salt

Conditions

Conditions	Yield
In acetone Heating / reflux;	92.43%

: 617-35-6
2-oxo-propionic acid ethyl ester

: 138-42-1
p-nitrobenzenesulfonic acid

: 3-(4-nitro-benzenesulfonyloxy)-2-oxo-propionic acid ethyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	92%

: 138-42-1
p-nitrobenzenesulfonic acid

: 108-94-1
cyclohexanone

: 98990-62-6
2-<(4-Nitrobenzenesulfonyl)oxy>cyclohexanone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	90%

: 138-42-1
p-nitrobenzenesulfonic acid

: 122-00-9
para-methylacetophenone

: 335163-16-1
4-nitro-benzenesulfonic acid 2-oxo-2-p-tolyl-ethyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	90%

: 138-42-1
p-nitrobenzenesulfonic acid

: 565-80-0
2,4-dimethylpentan-3-one

: 98990-67-1
2,4-dimethyl-2-<(p-nitrophenyl)sulfonyloxy>-3-pentanone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	90%

: 6084-15-7
2-iodo-1-phenylpropan-1-one

: 138-42-1
p-nitrobenzenesulfonic acid

: 98990-64-8
4-Nitro-benzenesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In acetonitrile at 80℃; for 24h; Inert atmosphere; Schlenk technique;	90%

: 138-42-1
p-nitrobenzenesulfonic acid

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 124716-83-2
Ethyl 2-<<(p-nitrophenyl)sulfonyl>oxy>-2-benzoylacetate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	89%

: 1192-62-7
1-(2-furyl)-1-ethanone

: 138-42-1
p-nitrobenzenesulfonic acid

: 4-nitro-benzenesulfonic acid 2-furan-2-yl-2-oxo-ethyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	88%

: 138-42-1
p-nitrobenzenesulfonic acid

: 98-86-2
acetophenone

: 55660-72-5
2-<(4-Nitrobenzenesulfonyl)oxy>-1-phenylethanone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	88%

: 138-42-1
p-nitrobenzenesulfonic acid

: 93-55-0
1-phenyl-propan-1-one

: 98990-64-8
4-Nitro-benzenesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	87%

: 451-40-1
phenyl benzyl ketone

: 138-42-1
p-nitrobenzenesulfonic acid

: 87119-38-8
2-<(4-Nitrobenzenesulfonyl)oxy>-1,2-diphenylethanone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	85%

: 138-42-1
p-nitrobenzenesulfonic acid

: 83-33-0
inden-1-one

: 155060-13-2
4-Nitro-benzenesulfonic acid 1-oxo-indan-2-yl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	85%

: 138-42-1
p-nitrobenzenesulfonic acid

: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

: 98990-65-9
2-<(4-Nitrobenzenesulfonyl)oxy>-1-tetralone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	85%

: 138-42-1
p-nitrobenzenesulfonic acid

: 105-53-3
diethyl malonate

: 2-(4-nitro-benzenesulfonyloxy)-malonic acid diethyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene Microwave irradiation;	85%

: 138-42-1
p-nitrobenzenesulfonic acid

: 110-12-3
5-Methyl-2-hexanone

: 4-Nitro-benzenesulfonic acid 1-acetyl-3-methyl-butyl ester

Conditions

Conditions	Yield
With copper(II) oxide In acetonitrile for 13h; Heating;	84%

: 138-42-1
p-nitrobenzenesulfonic acid

: 78-93-3
butanone

: 4-Nitro-benzenesulfonic acid 1-methyl-2-oxo-propyl ester

Conditions

Conditions	Yield
With copper(II) oxide In acetonitrile for 13h; Heating;	84%

: 138-42-1
p-nitrobenzenesulfonic acid

: 125356-51-6
(1S,2S)-trans-2-azidocyclopentanol

: 98-74-8
4-Nitrobenzenesulfonyl chloride

: (+/-)-trans-4-nitro-benzenesulfonic acid 2-azido-cyclopentyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane	84%

...Expand

: 109-99-9
tetrahydrofuran

: 103-30-0
(E)-1,2-diphenyl-ethene

: 138-42-1
p-nitrobenzenesulfonic acid

: 4-(2-bromo-1,2-diphenylethoxy)butyl 4-nitrobenzenesulfonate

Conditions

Conditions	Yield
With N-Bromosuccinimide at 25℃; for 24h; Inert atmosphere; diastereoselective reaction;	84%

...Expand

: 109-99-9
tetrahydrofuran

: 103-30-0
(E)-1,2-diphenyl-ethene

: 138-42-1
p-nitrobenzenesulfonic acid

: C24H24BrNO6S

Conditions

Conditions	Yield
With N-Bromosuccinimide at 25℃; for 24h;	84%

...Expand

4-Nitrobenzenesulfonic acid Chemical Properties

Molecular Structure:

Molecular Formula: C₆H₅NO₅S
Molecular Weight: 203.1726
IUPAC Name: 4-Nitrobenzenesulfonic acid
Synonyms of 4-Nitrobenzenesulfonic acid (CAS NO.138-42-1): 4-Nitrobenzenesulfonate ; CCRIS 3132 ; EINECS 205-329-5 ; NSC 5376 ; p-Nitrobenzenesulfonic acid ; p-Nitrophenylsulfonic acid ; Benzenesulfonic acid, 4-nitro- ; Benzenesulfonic acid, p-nitro- (8CI)
CAS NO: 138-42-1
Product Categories: Sulphur Derivatives
Melting point: 105-112 °C
Index of Refraction: 1.612
Molar Refractivity: 43.13 cm³
Molar Volume: 124 cm³
Surface Tension: 68.8 dyne/cm
Density of 4-Nitrobenzenesulfonic acid (CAS NO.138-42-1): 1.637 g/cm³

4-Nitrobenzenesulfonic acid Safety Profile

Hazard Codes of 4-Nitrobenzenesulfonic acid (CAS NO.138-42-1): Irritant Xi, Corrosive C
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 2305
Hazard Note: Corrosive/Irritant

Product Name

4-NITROBENZENESULFONIC ACID

Synthetic route

4-Nitrobenzenesulfonic acid Chemical Properties

4-Nitrobenzenesulfonic acid Safety Profile

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