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| CAS No.: | 84-89-9 |
|---|---|
| Name: | 5-Amino-1-naphthalenesulfonic acid |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C10H9NO3S |
| Molecular Weight: | 223.252 |
| Synonyms: | NSC 7553;NSC 28691;Laurent acid;5-Sulfo-1-naphthylamine;1-Amino-5-naphthalenesulfonicacid;1-Amino-5-sulfonaphthalene;5-Naphthylamine-1-sulfonic acid;1-Naphthylamine-5-sulfonic acid; |
| EINECS: | 201-571-0 |
| Density: | 1.502 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 220°C (rough estimate) |
| Solubility: | Soluble in hot water |
| Appearance: | White or pale pink needle-like crystal |
| Hazard Symbols: |
 C
|
| Risk Codes: | 20/21/22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2585 8/PG 3 |
| PSA: | 88.77000 |
| LogP: | 3.33070 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 5-Amino-1-naphthalenesulfonic acid with CAS registry number of 84-89-9 is also known as 1-Amino-5-naphthalenesufonic acid. The IUPAC name is 5-Aminonaphthalene-1-sulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments. Its EINECS registry number is 201-571-0. In addition, the formula is C10H9NO3S and the molecular weight is 223.25. This chemical is a white or pale pink needle-like crystal and should be sealed in ventilated, dry, cool place away from heat and fire.
Physical properties about 5-Amino-1-naphthalenesulfonic acid are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): -3.04; (3)ACD/LogD (pH 7.4): -3.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.713; (12)Molar Refractivity: 58.27 cm3; (13)Molar Volume: 148.6 cm3; (14)Surface Tension: 72.1 dyne/cm; (15)Density: 1.502 g/cm3.
Preparation of 5-Amino-1-naphthalenesulfonic acid: it is prepared by reaction of naphthalene. Firstly, raw material is sulfonated and nitrated at low temperature to get 5-nitro-1-naphthalene sulfonic acid. Then the reactant is mixed with magnesium carbonate. At last, the filtrate is restored and acidified to obtain the product.
Uses of 5-Amino-1-naphthalenesulfonic acid: it is used as azo dye intermediate and used for the manufacture of products such as 1-naphthol sulfonic acid. It is used to produce 5-dimethylamino-naphthalene-1-sulfonic acid by reaction with sulfuric acid dimethyl ester. The reaction occurs with reagent NaHCO3 and solvent H2O at the temperature of 80 °C for 30 minutes. The yield is about 90%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed and can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N
2. InChI: InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
3. InChIKey: DQNAQOYOSRJXFZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2990mg/kg (2990mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 87, 1986. |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 87, 1986. |
| rat | LD50 | intraperitoneal | 2880mg/kg (2880mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 87, 1986. |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 87, 1986. |