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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5HInChIKey
KAESVJOAVNADME-UHFFFAOYSA-NSmiles
c1cc[nH]c1Toxicity
| 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.