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Substance Name: 1,6-Cleve's acid
RN: 119-79-9
UNII: 59G56TB11B
InChIKey: UWPJYQYRSWYIGZ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H9-N-O3-S

Molecular Weight

  • 223.2511
 
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Names and Synonyms

Name of Substance

  • 1,6-Cleve's acid

Synonyms

  • 1,6-Cleve's acid
  • 1-Amino-6-naphthalenesulfonic acid
  • 1-Amino-6-sulfonaphthalene
  • 1-Naphthylamine-6-sulfonic acid
  • 4-14-00-02804 (Beilstein Handbook Reference)
  • 5-Amino-2-naphthalenesulfonic acid
  • 5-Naphthylamine-2-sulfonic acid
  • BRN 1819887
  • Cleve's acid, mixed
  • Cleve's acid-1,6
  • Cleve's beta-acid
  • EC 204-351-2
  • EINECS 204-351-2
  • Kyselina 1-naftylamin-6-sulfonova
  • Kyselina 1-naftylamin-6-sulfonova [Czech]
  • Kyselina cleve
  • Kyselina cleve [Czech]
  • NSC 31506
  • UNII-59G56TB11B

Systematic Names

  • 2-Naphthalenesulfonic acid, 5-amino-
  • 5-Aminonaphthalene-2-sulphonic acid

Superlist Name

  • 1-Naphthylamine-6-sulfonic acid

Registry Numbers

CAS Registry Number

  • 119-79-9

FDA UNII

  • 59G56TB11B

System Generated Number

  • 0000119799

Structure Descriptors

InChI

1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)

InChIKey

UWPJYQYRSWYIGZ-UHFFFAOYSA-N

Smiles

c1cc2cc(ccc2c(c1)N)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 14200mg/kg (14200mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1056, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.910 (none)   EST
Water Solubility 1000 mg/L 25 EXP
Vapor Pressure 5.26E-10 mm Hg 25 EST
Henry's Law Constant 8.68E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.41E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.