1,8,9-Anthracenetriol

HCID 10187

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

1,8,9-Trihydroxyanthracene1,8,9-ANTHRACENETRIOLDTXSID7026231DTXCID3062311,8,9AnthratriolRefChem:4178641,8,9Trihydroxyanthracene480-22-8anthracene-1,8,9-triol1,8,9-Anthratriol1,8-Dihydroxyanthranol1,8-Dihydroxy-9-anthranol
Show more names
1,8-Dihydroxy-9-anthroneLasanDerobinCignolinBatidrolAntradermDermalineCigthranolPsoradrate
MFCD00001250MLS000028411SMR000058389Cygnolin1,9-AnthratriolDihydroxy-Anthranol1,9-Anthracenetriol1,9-Trihydroxyanthracene

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

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 63 °F (NTP, 1992)
Melting Point349 to 358 °F (NTP, 1992)
Physical Description · 1 item

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)

Safety & regulation

Hazard information

Regulatory InformationChemical: 1,8,9-Anthracenetriol
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. It can stain the skin reddish-brown.
Reactive GroupPhenols and Cresols
Reactivity Profile · 1 item

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

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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.

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

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

Chemistry & industry

Uses & manufacturing

UsesSynthetic Polymer MALDI Matrix Compounds

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

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: An anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9.

Related reactions

1 records

Compound notes

Loading…