Basic information
- CAS
480-22-8- Standard SMILES
Oc1cccc2cc3cccc(O)c3c(O)c12- InChIKey
YUTJCNNFTOIOGT-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Overview
1,8,9-trihydroxyanthracene appears as odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence. (NTP, 1992)
Names & identifiers
- Preferred name
- 1,8,9-Anthracenetriol
- IUPAC
- anthracene-1,8,9-triol
- English name
- 1,8,9-Trihydroxyanthracene
- Molecular formula
- C14H10O3
- Molecular weight
- 226.23
Names & synonyms
Show more names
Database identifiers
- CAS
480-22-8- PubChem CID
- 10187
- DTXSID
DTXSID7026231- ChEMBL
CHEMBL1579066- ChEBI
CHEBI:2756- Nikkaji
- J5.223J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Physical Description
1,8,9-trihydroxyanthracene appears as odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence. (NTP, 1992)
Physicochemical properties
- Melting point
- 181 °C · 181 °C
- Boiling point
- 327.84 °C · 327.84°C (rough estimate)
- Density
- 1.2022 · 1.2022 (rough estimate)
- refractive index
- 1.5767 · 1.5767 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.23 · 6.23±0.30(Predicted)
- color
- Yellow powder
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- CAS DataBase Reference
- 480 · 480-22-8(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,8,9-Anthracenetriol (480-22-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- RTECS
- 1225000 · CB1225000
- HS Code
- 2907.29 · 2907.29.9000
- Toxicity
- 100 mg/plate · mmo-sat 100 mg/plate BCSTB5 5,1489,77
Safety & regulation
Hazard information
Reactivity Profile
1,8,9-TRIHYDROXYANTHRACENE is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. This chemical is incompatible with strong oxidizing agents. (NTP, 1992).
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Safety data
- rtecs
- CB1225000
- hs_code
- 2907.29.9000
- Toxicity
- mmo-sat 100 mg/plate BCSTB5 5,1489,77
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesAntipsoriatic.
General DescriptionOdorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence.
Suppliers33 total
Additional notes
DefinitionChEBI: An anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9.
Related reactions
Compound notes
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