Basic information
- CAS
476-60-8- Standard SMILES
Oc1ccc(O)c2c(O)c3ccccc3c(O)c12- InChIKey
BKNBVEKCHVXGPH-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- Anthracene-1,4,9,10-tetraol
- IUPAC
- anthracene-1,4,9,10-tetrol
- English name
- Anthracene-1,4,9,10-tetraol
- Molecular formula
- C14H10O4
- Molecular weight
- 242.23
Names & synonyms
Anthracene-1,4,9,10-tetraol476-60-8Leucoquinizarin1,4,9,10-Anthracenetetrol1,4,9,10-Tetrahydroxyanthraceneanthracene-1,4,9,10-tetrol1,4,9,10-Anthracenetetraol1,4-Dihydroxy-9,10-anthraquinolLeukochinizarinleuco-QuinizarinEINECS 207-507-8UNII-CP3E23813Z
Show more names
LEUCO QUINIZARINEQuinizarin,LeucoLeucoquinizarin >Anthracene-1,4,9,10-anthracene-1,4,9,1-tetraol
1,4-Dihydroxyanthrahydroquinone1,9,10-TetrahydroxyanthraceneMFCD00058948NSC-15369CHEMBL48531462,3-Dihydro-9,10-dihydroxy-1,4-anthraquinoneCP3E23813Z2,3-DI-HYDRO-1,4-DIHYDROXYANTHRAQUINONE
Database identifiers
- CAS
476-60-8- PubChem CID
- 68063
- DTXSID
DTXSID1060057- ChEMBL
CHEMBL4853146- UNII
- CP3E23813Z
- EC Number
- 207-507-8
- Nikkaji
- J824I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 305.05 °C · 305.05°C (rough estimate)
- Density
- 1.1478 · 1.1478 (rough estimate)
- refractive index
- 1.519 · 1.5190 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.11 · 8.11±0.30(Predicted)
- InChI
- InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-18H
- InChIKey
- BKNBVEKCHVXGPH-UHFFFAOYSA-N
- SMILES
- C1(O)=C2C(C(O)=C3C(=C2O)C=CC=C3)=C(O)C=C1
- CAS DataBase Reference
- 476 · 476-60-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 E23813Z · CP3E23813Z
- EPA Substance Registry System
- 1 · 1,4,9,10-Anthracenetetrol (476-60-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2009 of 2009) of all reports.
Not Classified
Aggregated GHS information provided per 2009 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,4,9,10-Anthracenetetrol
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- rtecs
- OH4742000
- hs_code
- 2907.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4,9,10-Anthracenetetrol: ACTIVE
Applications
DescriptionAnthracene-1,4,9,10-tetraol is an important chemical intermediate. It has an important position in the dye industry, can be used in the research and development of pharmaceutical intermediates such as anti-tumor drugs, anti-cancer, etc., and can also be widely used in solvent dyes, disperse dyes, reactive dyes, and vat dye intermediates.
Uses1,4,9,10-Anthracenetetraone (quinizarindiquinone) derivative is an important electrode material and serves as a potent diphenol reagent for Diels-Alder reactions. In recent years, the anticancer activity of Anthracene-1,4,9,10-tetraol has often been studied separately, and it is often used in the research and use of antitumor drugs and dyes.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd
Related reactions
1 records
Compound notes
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