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Substance Name: 1-Nitroso-3,6-disulfonate
RN: 525-05-3
UNII: 8197875CWH
InChIKey: DMKMTGULLYISBH-UHFFFAOYSA-L

Molecular Formulas

  • C10-H5-N-O8-S2.2Na
  • C10-H7-N-O8-S2.2Na

Molecular Weight

  • 377.26
 
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Names and Synonyms

Name of Substance

  • 1-Nitroso-3,6-disulfonate

Synonyms

  • 2-Hydroxy-3-nitroso-2,7-naphthalenedisulfonic acid disodium salt
  • 3-Hydroxy-4-nitroso-2,7-naphthalenedisulfonic acid disodium salt
  • AI3-22012
  • Disodium 1-nitroso-2-naphthol-3,6-disulfonate
  • EINECS 208-369-1
  • Nitroso R
  • Nitroso-R salt
  • NSC 5044
  • UNII-8197875CWH

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-nitroso-, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-nitroso-, sodium salt (1:2)
  • Disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 525-05-3

FDA UNII

  • 8197875CWH

Other Registry Numbers

  • 140212-78-8
  • 879660-49-8

System Generated Number

  • 0000525053

Molecular Formulas

Molecular Formulas

  • C10-H5-N-O8-S2.2Na
  • C10-H7-N-O8-S2.2Na

Molecular Formula Fragments

  • C10-H5-N-O8-S2
  • C10-H7-N-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2

InChIKey

DMKMTGULLYISBH-UHFFFAOYSA-L

Smiles

c12c(cc(S(=O)(=O)[O-])c(c1N=O)O)cc(S(=O)(=O)[O-])cc2.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05619,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -4.130 (none)   EST
Atmospheric OH Rate Constant 6.32E-12 cm3/molecule-sec 25 EST

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