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2-Aminonaphthalene-1-sulfonic acid

  • Name 2-Aminonaphthalene-1-sulfonic acid
  • EINECS201-331-5
  • CAS No. 81-16-3
  • Density1.502 g/cm3
  • PSA88.77000
  • LogP3.33070
  • Solubility4.083g/L(20 oC)
  • Melting Point180 °C
  • FormulaC10H9NO3S
  • Boiling Point220°C (rough estimate)
  • Molecular Weight223.252
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceWhite to Pink Crystal
  • Safety26-36/37/39
  • Risk Codes36/37/38-40
  • Molecular Structure
    Molecular Structure of 81-16-3 (2-Aminonaphthalene-1-sulfonic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data16

2-Aminonaphthalene-1-sulfonic acid Specification

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.

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