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Substance Name: Pyrrole
RN: 109-97-7
UNII: 86S1ZD6L2C
InChIKey: KAESVJOAVNADME-UHFFFAOYSA-N

Note

  • Azoles of one NITROGEN and two double bonds that have aromatic chemical properties.

Molecular Formula

  • C4-H5-N

Molecular Weight

  • 67.0905
 

Classification Codes

  • Agricultural Chemical
  • Mutation Data
  • Unspecified / Unclassified Pesticide
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Names and Synonyms

Name of Substance

  • 1H-Pyrrole
  • Pyrrole

MeSH Heading

  • Pyrroles

Synonyms

  • 1-Aza-2,4-cyclopentadiene
  • 1H-Pyrrole
  • AI3-18817
  • Azole
  • CCRIS 2933
  • Divinyleneimine
  • Divinylenimine
  • EINECS 203-724-7
  • FEMA No. 3386
  • HSDB 119
  • Imidole
  • Monopyrrole
  • NSC 62777
  • Parzate
  • Pyrrol
  • Pyrrole
  • UNII-86S1ZD6L2C

Systematic Names

  • 1H-Pyrrole
  • Pyrrole

Superlist Names

  • 1H-Pyrrole
  • Pyrrole

Registry Numbers

CAS Registry Number

  • 109-97-7

FDA UNII

  • 86S1ZD6L2C

Other Registry Numbers

  • 1201695-24-0
  • 21995-14-2
  • 45361-50-0

System Generated Number

  • 0000109977

Structure Descriptors

InChI

1S/C4H5N/c1-2-4-5-3-1/h1-5H

InChIKey

KAESVJOAVNADME-UHFFFAOYSA-N

Smiles

c1cc[nH]c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 98mg/kg (98mg/kg)   Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965.
mouse LD50 subcutaneous 61mg/kg (61mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 335, 1969.
rabbit LDLo intraperitoneal 150mg/kg (150mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 387, 1930.
rabbit LDLo oral 147mg/kg (147mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 387, 1930.
rabbit LDLo subcutaneous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 387, 1930.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.34E+01 deg C   EXP
Boiling Point 129.7 deg C   EXP
pKa Dissociation Constant 17.5 (none)   EXP
log P (octanol-water) 0.75 (none)   EXP
Water Solubility 4.50E+04 mg/L 25 EXP
Vapor Pressure 8.36 mm Hg 25 EXP
Henry's Law Constant 1.80E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 25 EXP

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