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CAS No.: | 81-16-3 |
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Name: | 2-Aminonaphthalene-1-sulfonic acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H9NO3S |
Molecular Weight: | 223.252 |
Synonyms: | 1-Sulfo-2-naphthylamine;2-Amino-1-naphthalenesulfonic acid;2-Naphthylamine-1-sulfonic acid;Tobias acid;2-aminonaphthalene-1-sulfonate; |
EINECS: | 201-331-5 |
Density: | 1.502 g/cm3 |
Melting Point: | 180 °C |
Boiling Point: | 220°C (rough estimate) |
Solubility: | 4.083g/L(20 oC) |
Appearance: | White to Pink Crystal |
Risk Codes: | 36/37/38-40 |
Safety: | 26-36/37/39 |
PSA: | 88.77000 |
LogP: | 3.33070 |
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The 2-Aminonaphthalene-1-sulfonic acid, with the CAS registry number 81-16-3,is also known as 2-Naphthylamine-1-sulfonic acid; Tobias acid. It belongs to the product categories of Intermediates of Dyes and Pigments;Intermediates;Organics. This chemical's molecular formula is C10H9NO3S and molecular weight is 223.25. Its EINECS number is 201-331-5.What's more,Its systematic name is 2-Aminonaphthalene-1-sulphonic acid.It is is used as intermediate for pigments, ci pigment 49, 6-amino-1-naphthalenesulfonic acid, 6-amino-1,3-naphthalenedisulfonic acid, eg.
Physical properties about 2-Aminonaphthalene-1-sulfonic acid are:
(1)ACD/LogP: 0.275; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -3.22; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.713; (13)Molar Refractivity: 58.277 cm3; (14)Molar Volume: 148.606 cm3; (15)Surface Tension: 72.161003112793 dyne/cm; (16)Density: 1.502 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=O)(O)c1c2c(ccc1N)cccc2;
(2)Std. InChI:InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14);
(3)Std. InChIKey:GWIAAIUASRVOIA-UHFFFAOYSA-N.
Safety Information of 2-Aminonaphthalene-1-sulfonic acid:
The 2-Aminonaphthalene-1-sulfonic acid is irritating to eyes, respiratory system and skin .But there is limited evidence of a carcinogenic effect .When you use 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.
The toxicity data of 2-Aminonaphthalene-1-sulfonic acid as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 19400mg/kg (19400mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1057, 1986. |