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Cas Database |
| Name |
4-Nitrobenzenesulfonic acid |
EINECS | 205-329-5 |
| CAS No. | 138-42-1 | Density | 1.637 g/cm3 |
| PSA | 108.57000 | LogP | 2.44550 |
| Solubility | 476g/L(100.5 oC) | Melting Point |
105-112 °C |
| Formula | C6H5NO5S | Boiling Point | N/A |
| Molecular Weight | 203.175 | Flash Point | N/A |
| 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; |
Article Data | 74 |
4-Nitrobenzenesulfonic acid Synthetic route
| 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 | Yield |
|---|---|
| With sodium hydroxide In ethanol at 42℃; for 1.25h; Temperature; | 93% |
| 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% |
| 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; |
| Conditions | Yield |
|---|---|
| In chloroform for 168h; Ambient temperature; | 72% |
| With benzyl alcohol In ethyl acetate; benzene |
| 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 | Yield |
|---|---|
| With nitric acid |
| 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 |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; ethyl acetate at -10℃; Kinetics; |
4-Nitrobenzenesulfonic acid Chemical Properties
Molecular Structure:
.gif)
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): 
Xi,
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
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