Basic information
- CAS
27485-15-0- Standard SMILES
O=C(O)c1cc2c(cc1C(=O)O)C(=O)c1ccccc1C2=O- InChIKey
PSHVQIKBLXBIQJ-UHFFFAOYSA-N- Molecular formula
- C16H8O6
- Average molar mass
- 296.23 g/mol
- Monoisotopic mass
- 296.03208797
Overview
structure in first source
Names & identifiers
- Preferred name
- Anthraquinone-2,3-dicarboxylic Acid
- IUPAC
- 9,10-dioxoanthracene-2,3-dicarboxylic acid
- English name
- Anthraquinone-2,3-dicarboxylic acid
- Molecular formula
- C16H8O6
- Molecular weight
- 296.23
Names & synonyms
27485-15-0Anthraquinone-2,3-dicarboxylic AcidDTXSID40394930RefChem:113073DTXCID80345789677-097-79,10-dioxoanthracene-2,3-dicarboxylic Acid2,3-Anthraquinonedicarboxylic Acid9,10-dioxo-9,10-dihydroanthracene-2,3-dicarboxylic acidMFCD000875372,3-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo-2,3-dicarboxyanthraquinone
Show more names
?2,3-dicarboxyanthraquinoneAnthraquinone-2,3-dicarboxylic AcideAnthraquinone-2,3-dicarboxylic Acid >9,10-dioxoanthracene-2,3-dicarboxylic acid2,3-Dioxo-2,3-dihydroanthracene-1,4-dicarboxylic acid9,10-Dihydro-9,10-dioxo-2,3-anthracenedicarboxylic Acid
SCHEMBL68338orb3215083PSHVQIKBLXBIQJ-UHFFFAOYSA-N2?3-Anthraquinonedicarboxylic AcidAKOS015840878FA17946AC-27847LS-14460
Database identifiers
- CAS
27485-15-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Melting point
- 342 °C · 342 °C
- Boiling point
- 627 · 627.0±55.0 °C(Predicted)
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.20(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2917.39 · 2917.39.7000
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2917.39.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,3-Anthraquinonedicarboxylic Acid is an ozonolysis degradation product of polycyclic aromatic hydrocarbons (PCA). 2,3-Anthraquinonedicarboxylic Acid is used in the preparation of anthraquinonedicarboximide dyes.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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