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Substance Name: p-Iodoaniline
RN: 540-37-4
UNII: 0BMK56397B
InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N

Note

  • Reagent.

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H6-I-N

Molecular Weight

  • 219.02
 
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Names and Synonyms

Name of Substance

  • 4-Iodoaniline
  • p-Iodoaniline

Synonyms

  • 4-Iodoaniline
  • 4-Iodobenzenamine
  • Aniline, 4-iodo-
  • CCRIS 9122
  • EINECS 208-743-4
  • NSC 9246
  • p-Aminophenyl iodide
  • p-Iodoaniline
  • UNII-0BMK56397B

Systematic Names

  • 4-Iodoaniline
  • 4-Iodobenzenamine
  • Aniline, p-iodo-
  • Benzenamine, 4-iodo-

Registry Numbers

CAS Registry Number

  • 540-37-4

FDA UNII

  • 0BMK56397B

Other Registry Number

  • 62751-12-6

System Generated Number

  • 0000540374

Structure Descriptors

InChI

1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey

VLVCDUSVTXIWGW-UHFFFAOYSA-N

Smiles

c1(ccc(I)cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LD50 oral 523mg/kg (523mg/kg)   Ceskoslovenska Hygiena. Czechoslovak Hygiene. Vol. 23, Pg. 168, 1978.
rat LDLo unreported 500mg/kg (500mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 142, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67.5 deg C   EXP
pKa Dissociation Constant 3.78 (none) 25 EXP
log P (octanol-water) 2.34 (none)   EXP
Water Solubility 350 mg/L 25 EST
Vapor Pressure 7.67E-03 mm Hg 25 EST
Henry's Law Constant 4.41E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.56E-11 cm3/molecule-sec 25 EST

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