2-Anthraquinonecarboxylic acid

HCID 67030CAS 117-78-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
ASDLSKCKYGVMAI-UHFFFAOYSA-N
Molecular formula
C15H8O4
Average molar mass
252.22 g/mol
Monoisotopic mass
252.04225874

Overview

2-carboxyanthraquinone has been reported in Handroanthus impetiginosus with data available.

Names & identifiers

Preferred name
2-Anthraquinonecarboxylic acid
IUPAC
9,10-dioxoanthracene-2-carboxylic acid
English name
ANTHRAQUINONE-2-CARBOXYLIC ACID
Molecular formula
C15H8O4
Molecular weight
252.22

Names & synonyms

117-78-22-Anthraquinonecarboxylic acid9,10-Anthraquinone 2-carboxylic acid2-Carboxyl-9,10-anthraquinone2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-beta-Anthraquinonecarboxylic acid2-Anthroic acid, 9,10-dihydro-9,10-dioxo-NSC-50013WS64LL78MAQCA-9,10DTXSID70151659RefChem:548778
Show more names
10-Dihydro-9ANTHRAQUINONE-2-CARBOXYLATEANTRAQUINONE-2-CARBOXYLIC ACIDBETA-ANTHRAQUINONE CARBOXYLIC AIDAnthraquinone-2-carboxylic acid 98%Anthraquinone-2-carboxylic Acid >9,10-anthraquinone 2-carboxylic acid
DTXCID8074150204-207-9Anthraquinone-2-carboxylic acid9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid9,10-Dioxoanthracene-2-carboxylic acid2-Carboxyanthraquinone9,10-Dihydro-9,10-dioxo-2-anthracenecarboxylic acidC15H8O4

Database identifiers

CAS
117-78-2
PubChem CID
67030
DTXSID
DTXSID70151659
ChEMBL
CHEMBL455581
UNII
3WS64LL78M
EC Number
204-207-9
Nikkaji
J32.556B

Properties

Computed structural properties

XLogP
3
Topological polar surface area
71.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
19

Physicochemical properties

Melting point
287 · 287-289 °C (lit.)
Boiling point
355.4 °C · 355.4°C (rough estimate)
Density
1.469 · 1.469
refractive index
1.4872 · 1.4872 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Soluble in hot Acetic acid(almost transparency).

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24481
Hazard Classes and CategoriesMuta. 2 (66.7%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29183000
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 1 item

UsesAnthraquinone 2-carboxylic acid (AQ) as a novel electron shuttling mediator and attached electron relay for HRP. Efficient method for the generation of hydrogen peroxide by aerobic photooxidation of 2-propanol using anthraquinone-2-carboxylic acid and molecular oxygen is investigated.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [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]

Related reactions

11 records
New reaction record

Linked notes

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