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Substance Name: 3,5-Dinitrosalicylic acid
RN: 609-99-4
InChIKey: LWFUFLREGJMOIZ-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-N2-O7

Molecular Weight

  • 228.1156
 
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Names and Synonyms

Name of Substance

  • 3,5-Dinitrosalicylic acid

Synonyms

  • 2-Hydroxy-3,5-dinitrobenzoic acid
  • 3,5-Dinitro-2-hydroxybenzoic acid
  • 3,5-Dinitrosalicylate
  • 3,5-Dinitrosalicylic acid
  • 4-27-00-07537 (Beilstein Handbook Reference)
  • AI3-15341
  • BRN 2220661
  • EINECS 210-204-3
  • NSC 181

Systematic Names

  • 3,5-Dinitrosalicylic acid
  • Benzoic acid, 2-hydroxy-3,5-dinitro-
  • Salicylic acid, 3,5-dinitro-

Superlist Names

  • 3,5-Dinitrosalicylic acid (lead salt) (dry)
  • 3,5-Dinitrosalicylic acid (lead salt) (dry) [Forbidden]

Registry Numbers

CAS Registry Number

  • 609-99-4

Related Registry Number

  • 46506-88-1 (mono-hydrochloride salt)

System Generated Number

  • 0000609994

Structure Descriptors

InChI

1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)

InChIKey

LWFUFLREGJMOIZ-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 270mg/kg (270mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.
rat LD50 oral 860mg/kg (860mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
pKa Dissociation Constant 0.7 (none) 25 EXP
log P (octanol-water) 1.71 (none)   EXP
Water Solubility 1080 mg/L 25 EST
Vapor Pressure 2.05E-08 mm Hg 25 EST
Henry's Law Constant 6.99E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.63E-13 cm3/molecule-sec 25 EST

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