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Substance Name: Pyrogallol [NF]
RN: 87-66-1
UNII: 01Y4A2QXY0
InChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-N
Note
- A trihydroxybenzene or dihydroxy phenol that can be prepared by heating GALLIC ACID.
Molecular Formula
- C6-H6-O3
Molecular Weight
- 126.1104
- All
- Classifications
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Antioxidants
- Drug / Therapeutic Agent
- Human Data
- Mutation Data
- Protective Agents
- Reproductive Effect
- Skin / Eye Irritant
- Tumor Data
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Names and Synonyms
Name of Substance
- 1,2,3-Benzenetriol
- CI 76515
- Pyrogallic acid
- Pyrogallol
- Pyrogallol [NF]
MeSH Heading
- Pyrogallol
Synonyms
- 1,2,3-Benzenetriol
- 1,2,3-Trihydroxybenzen
- 1,2,3-Trihydroxybenzen [Czech]
- 1,2,3-Trihydroxybenzene
- 215
- 4-06-00-07327 (Beilstein Handbook Reference)
- AI3-00709
- Benzene, 1,2,3-trihydroxy-
- BRN 0907431
- C.I. 76515
- C.I. Oxidation Base 32
- CCRIS 1940
- CI 76515
- CI Oxidation Base 32
- EINECS 201-762-9
- Fouramine Brown AP
- Fourrine 85
- Fourrine PG
- HSDB 794
- NSC 5035
- Pyro
- Pyrogallic acid
- Pyrogallol
- UNII-01Y4A2QXY0
Systematic Names
- 1,2,3-Benzenetriol
- Pyrogallol
Superlist Name
- Pyrogallol
Registry Numbers
CAS Registry Number
- 87-66-1
FDA UNII
- 01Y4A2QXY0
System Generated Number
- 0000087661
Structure Descriptors
InChI
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9HInChIKey
WQGWDDDVZFFDIG-UHFFFAOYSA-NSmiles
Oc1cccc(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 75mg/kg (75mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| dog | LDLo | intravenous | 80mg/kg (80mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955. | |
| dog | LDLo | oral | 25mg/kg (25mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955. | |
| dog | LDLo | subcutaneous | 300mg/kg (300mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955. | |
| frog | LDLo | subcutaneous | 200mg/kg (200mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE WEAKNESS SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE | Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895. |
| human | LDLo | oral | 28mg/kg (28mg/kg) | GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 507, 1969. |
| man | LDLo | subcutaneous | 120mg/kg (120mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Znetralbaltt fuer die Medizinischen Wissenschaften. Vol. 19, Pg. 545, 1881. |
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | National Technical Information Service. Vol. AD691-490, | |
| mouse | LD50 | oral | 300mg/kg (300mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(8), Pg. 6, 1973. | |
| mouse | LD50 | subcutaneous | 566mg/kg (566mg/kg) | Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947. | |
| rabbit | LD50 | oral | 1600mg/kg (1600mg/kg) | GASTROINTESTINAL: GASTRITIS LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA | American Journal of Veterinary Research. Vol. 23, Pg. 1264, 1962. |
| rabbit | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| rat | LDLo | subcutaneous | 650mg/kg (650mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 133 | deg C | EXP | |
| Boiling Point | 309 | deg C | EXP | |
| pKa Dissociation Constant | 9.01 | (none) | EXP | |
| log P (octanol-water) | 0.970 | (none) | EST | |
| Water Solubility | 5.07E+05 | mg/L | 25 | EXP |
| Henry's Law Constant | 6.07E-15 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.00E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.