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| CAS No.: | 82-76-8 |
|---|---|
| Name: | 8-Anilino-1-naphthalenesulfonic acid |
| Molecular Structure: | |
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| Formula: | C16H13NO3S |
| Molecular Weight: | 299.35 |
| Synonyms: | 1-Naphthalenesulfonicacid, 8-anilino- (7CI,8CI);1-(Phenylamino)-8-naphthalenesulfonic acid;1-Anilino-8-naphthalenesulfonic acid;8-(Phenylamino)-1-naphthalenesulfonicacid;8-Anilino-1-naphthalenesulfonate;ANS;NSC 1746;Peri acid, phenyl-;Phenyl peri acid; |
| EINECS: | 201-438-7 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 215-217 °C |
| Solubility: | Soluble in ethanol, insoluble in water |
| Appearance: | Light green to gray needle-like or flake crystal |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36-36/37/38 |
| Safety: | 26-36 |
| PSA: | 74.78000 |
| LogP: | 4.98390 |
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Specification
The 8-Anilino-1-naphthalenesulfonic acid with CAS registry number of 82-76-8 is also known as 1-Anilino-8-naphthalenesulfonate. The IUPAC name is 8-Anilinonaphthalene-1-sulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments; Intermediates. Its EINECS registry number is 201-438-7. In addition, the formula is C16H13NO3S and the molecular weight is 299.34. This chemical is a light green to gray needle-like or flake crystal and should be sealed in cool, dry place without light. Besides, it is used as dye intermediate.
Physical properties about 8-Anilino-1-naphthalenesulfonic acid are: (1)ACD/LogP: 1.81; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.71; (10)Molar Refractivity: 83.018 cm3; (11)Molar Volume: 212.367 cm3; (12)Surface Tension: 66.08 dyne/cm; (13)Density: 1.41 g/cm3.
Preparation of 8-Anilino-1-naphthalenesulfonic acid: it is prepared by reaction of aniline and peri acid in the presence of sulfuric acid. After condensation and vacuum distillation, N-phenyl peri acid is received and mixed with soda ash, then it is steam distilled and decolored with carbon to obtain the product.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
2. InChI: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
3. InChIKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N