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Substance Name: Picramic acid
RN: 96-91-3
UNII: 5VDQ7GK8L3
InChIKey: QXYMVUZOGFVPGH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H5-N3-O5

Molecular Weight

  • 199.1215
 
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Names and Synonyms

Results Name

  • Picramic acid

Name of Substance

  • 2,4-Dinitro-6-aminophenol
  • 2-Amino-4,6-dinitrophenol
  • 4,6-Dinitro-2-aminophenol
  • CI 76540
  • Phenol, 2-amino-4,6-dinitro-
  • Picramic acid

Synonyms

  • 1-Amino-2-hydroxy-3,5-dinitrobenzene
  • 2,4-Dinitro-6-aminophenol
  • 2-Amino-4,6-dinitrophenol
  • 4,6-Dinitro-2-aminophenol
  • 4-13-00-00909 (Beilstein Handbook Reference)
  • 6-Amino-2,4-dinitrophenol
  • Acide picramique
  • Acide picramique [French]
  • AI3-08922
  • BRN 0989416
  • C.I. Oxidation Base 21
  • CCRIS 1003
  • CI Oxidation Base 21
  • EINECS 202-544-6
  • Fourrine 4R
  • Fourrine 93
  • Furro 4R
  • HSDB 4319
  • NSC 36939
  • Oxidation Base 21
  • Phenol, 2-amino-4,6-dinitro-
  • Picramic acid
  • UNII-5VDQ7GK8L3
  • Zoba 4R

Systematic Names

  • 2-Amino-4,6-dinitrophenol
  • 4,6-Dinitro-2-aminophenol
  • Phenol, 2-amino-4,6-dinitro-

Superlist Names

  • 2-Amino-4,6-Dinitrophenol, wetted with not <20% water by mass
  • 2-Amino-4,6-Dinitrophenol, wetted with not <20% water by mass [UN3317] [Flammable solid]
  • UN3317

Registry Numbers

CAS Registry Number

  • 96-91-3

FDA UNII

  • 5VDQ7GK8L3

System Generated Number

  • 0000096913

Structure Descriptors

InChI

1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2

InChIKey

QXYMVUZOGFVPGH-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1O)N)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 150mg/kg (150mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
pigeon LDLo intramuscular 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 58, 1935.
pigeon LDLo intraperitoneal 140mg/kg (140mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: REGIDITY
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
rat LDLo subcutaneous 2100mg/kg (2100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 58, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 169 deg C   EXP
pKa Dissociation Constant 1 (none)   EXP
log P (octanol-water) 0.93 (none)   EXP
Water Solubility 1400 mg/L 22 EXP
Vapor Pressure 4.16E-07 mm Hg 25 EST
Henry's Law Constant 9.75E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.06E-13 cm3/molecule-sec 25 EST

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