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Substance Name: N-Phenylhydroxylamine
RN: 100-65-2
UNII: 282MU82Z9A
InChIKey: CKRZKMFTZCFYGB-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Mutation Data

Molecular Formula

  • C6-H7-N-O

Molecular Weight

  • 109.127
 
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Names and Synonyms

Name of Substance

  • N-Phenylhydroxylamine
  • Phenylhydroxylamine

Synonyms

  • 4-15-00-00004 (Beilstein Handbook Reference)
  • Aniline, N-hydroxy-
  • Benzenamine, N-hydroxy-
  • Benzene, hydroxylamino-
  • BRN 0507174
  • CCRIS 5062
  • EINECS 202-875-6
  • HSDB 2884
  • Hydroxylamine, N-phenyl-
  • N-Hydroxyaniline
  • N-Hydroxybenzenamine
  • N-Phenylhydroxylamine
  • NCI-C60093
  • NSC 223099
  • Phenylhydroxyamine
  • Phenylhydroxylamine
  • UNII-282MU82Z9A

Systematic Names

  • Benzenamine, N-hydroxy-
  • Hydroxylamine, N-phenyl-
  • Phenylhydroxylamine

Registry Numbers

CAS Registry Number

  • 100-65-2

FDA UNII

  • 282MU82Z9A

System Generated Number

  • 0000100652

Structure Descriptors

InChI

1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H

InChIKey

CKRZKMFTZCFYGB-UHFFFAOYSA-N

Smiles

c1(ccccc1)NO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 30mg/kg (30mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
human TDLo skin 500ug/kg (0.5mg/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 401, 1895.
mouse LD50 oral 247mg/kg (247mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 68, 1979.
rabbit LD50 oral 125mg/kg (125mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 68, 1979.
rabbit LDLo subcutaneous 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 401, 1895.
rat LD50 oral 100mg/kg (100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 68, 1979.
rat LDLo subcutaneous 40mg/kg (40mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

KIDNEY, URETER, AND BLADDER: HEMATURIA
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 182, Pg. 118, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83.5 deg C   EXP
pKa Dissociation Constant 5 (none)   EXP
log P (octanol-water) 0.79 (none)   EXP
Water Solubility 4.00E+04 mg/L 25 EXP
Vapor Pressure 7.95E-03 mm Hg 25 EST
Henry's Law Constant 3.81E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.27E-11 cm3/molecule-sec 25 EST

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