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Substance Name: Indole
RN: 120-72-9
UNII: 8724FJW4M5
InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
Classification Codes
- Skin / Eye Irritant
- Tumor Data
Molecular Formula
- C8-H7-N
Molecular Weight
- 117.15
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Indole
Synonyms
- 1-Azaindene
- 1-Benzazole
- 1-Benzo(b)pyrrole
- 1H-Indole
- 2,3-Benzopyrole
- 2,3-Benzopyrrole
- AI3-01540
- Benzopyrrole
- Caswell No. 498B
- CCRIS 4421
- EINECS 204-420-7
- EPA Pesticide Chemical Code 025000
- FEMA No. 2593
- HSDB 599
- Indol
- Indol [German]
- Indole
- Indole (natural)
- Ketole
- NSC 1964
- UNII-8724FJW4M5
Systematic Names
- 1H-Indole
- Indole
Superlist Names
- 1H-Indole
- Indole
Registry Numbers
CAS Registry Number
- 120-72-9
FDA UNII
- 8724FJW4M5
System Generated Number
- 0000120729
Structure Descriptors
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9HInChIKey
SIKJAQJRHWYJAI-UHFFFAOYSA-NSmiles
c1ccc2[nH]ccc2c1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 117mg/kg (117mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974. | |
| mouse | LD50 | subcutaneous | 225mg/kg (225mg/kg) | Klinische Wochenscrift. Vol. 35, Pg. 504, 1957. | |
| mouse | LDLo | oral | 1070mg/kg (1070mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. | |
| rabbit | LD50 | skin | 790mg/kg (790mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 52.5 | deg C | EXP | |
| Boiling Point | 254 | deg C | EXP | |
| pKa Dissociation Constant | -2.40E+00 | (none) | 25 | EXP |
| log P (octanol-water) | 2.14 | (none) | EXP | |
| Water Solubility | 3560 | mg/L | 25 | EXP |
| Vapor Pressure | 0.0122 | mm Hg | 25 | EXP |
| Henry's Law Constant | 5.28E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.54E-10 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.