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| CAS No.: | 88-63-1 |
|---|---|
| Name: | 2,4-Diaminobenzenesulfonic acid |
| Article Data: | 31 |
| Molecular Structure: | |
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|
|
| Formula: | C6H8N2O3S |
| Molecular Weight: | 188.207 |
| Synonyms: | 1,3-Diaminobenzene-4-sulfonicacid;1,3-Diaminobenzene-6-sulfonic acid;1,3-Phenylenediamine-4-sulfonic acid;2,4-Diamino-1-benzenesulfonic acid;4-Sulfo-1,3-diaminobenzene;ABSA;Metaphenylenediamine-4-sulfonic acid;NSC7835;m-Phenylenediamine-4-sulfonic acid;o-Aminosulfanilic acid; |
| EINECS: | 201-846-5 |
| Density: | 1.611 g/cm3 |
| Melting Point: | 260-266 °C (dec.) |
| Boiling Point: | 313ºC |
| Solubility: | 1000g/L at 25℃ |
| Appearance: | Slight grayish brown powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/38-43-36/37/38 |
| Safety: | 26-36/39-37/39-36 |
| Transport Information: | UN 1759 8/PG 3 |
| PSA: | 114.79000 |
| LogP: | 2.34090 |
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| Conditions | Yield |
|---|---|
| With [RuCl(P(C6H5)3)2(O(C6H4)NCH(C4H3N))]; bromamine B; sodium hydroxide In water; acetonitrile at 39.84℃; for 4.41667h; | 96% |
| With chloramine-B; sodium hydroxide; palladium dichloride In water; acetonitrile at 80℃; pH=12; | 86% |
| Conditions | Yield |
|---|---|
| With sulfur trioxide In 1,2-dichloro-ethane at 20 - 60℃; for 10h; Solvent; Temperature; | 95.96% |
| With sulfuric acid at 160℃; | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dinitrobenzenesulfonic acid With hydrogenchloride In water at 95 - 100℃; pH=2; Stage #2: In water pH=7; Product distribution / selectivity; | 60% |
| Conditions | Yield |
|---|---|
| large excess of NaHSO3; | 10% |
| large excess of NaHSO3; | 10% |
- 24311-40-8
3-nitroaniline-6-sulphonic acid
- 88-63-1
2,4-Diaminobenzenesulfonic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin | |
| With hydrogenchloride; tin |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 170℃; im geschlossenen Rohr; |
- 99-65-0
meta-dinitrobenzene
A
- 712-24-3
4-amino-2-nitrobenzene sulfonic acid
B
- 88-63-1
2,4-Diaminobenzenesulfonic acid
| Conditions | Yield |
|---|---|
| anschliessendes Behandeln mit H2SO4; |
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Specification
The CAS registry number of 2,4-Diaminobenzenesulfonic acid is 88-63-1. The IUPAC name is 2,4-diaminobenzenesulfonic acid. Its EINECS registry number is 201-846-5. In addition, the molecular formula is C6H8N2O3S and the molecular weight is 188.204. It is a kind of brown crystalline powder and belongs to the classes of Intermediates of Dyes and Pigments; Organic acids; Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds. What's more, it can be used to produce azo dye and reactive dyes.
Physical properties about this chemical are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.32; (4)ACD/LogD (pH 7.4): -4.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 44.33 cm3; (15)Molar Volume: 116.7 cm3; (16)Polarizability: 17.57 ×10-24cm3; (17)Surface Tension: 86.5 dyne/cm; (18)Density: 1.611 g/cm3.
Preparation of 2,4-Diaminobenzenesulfonic acid: it can be prepared by 2,4-dinitrochlorobenzene. The 2,4-dinitrochlorobenzene can make sulfonation reaction with sodium sulfite in the presence of magnesium oxide. After cooling, add hydrochloric acid make the solution into acid. Through adding salt, cooling, stalling, suction filter, centrifugal dehydration, get the 2,4-dinitrobenzenesulfonic acid. Then put the 2,4-dinitrobenzenesulfonic acid into the pot which contain scrap iron and hydrochloric acid. After boiling, add sodium carbonate and sodium hydrogen sulfite, Enrichment, crystal, centrifugal dehydration. Through concentrate, crystallize and centrifugal dewatering the filtrate, you can get the product.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1N)N
(2)InChI: InChI=1/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
(3)InChIKey: JVMSQRAXNZPDHF-UHFFFAOYAZ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 3480mg/kg (3480mg/kg) | "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 180, 1972. |