1,4-Dihydroxy-2,3-dimethyl-9,10-anthraquinone
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Basic information
- CAS
25060-18-8- Standard SMILES
Cc1c(C)c(O)c2c(c1O)C(=O)c1ccccc1C2=O- InChIKey
UEIREGKJDNBMLZ-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-2,3-dimethyl-9,10-anthraquinone
- IUPAC
- 1,4-dihydroxy-2,3-dimethylanthracene-9,10-dione
- English name
- 1,4-DIHYDROXY-2,3-DIMETHYLANTHRAQUINONE
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
1,4-dihydroxy-2,3-dimethyl-9,10-anthraquinoneDHDMAQRefChem:44256425060-18-81,4-dihydroxy-2,3-dimethylanthracene-9,10-dione2,3-Dimethylquinizarin9,10-Anthracenedione, 1,4-dihydroxy-2,3-dimethyl-1,4-Dihydroxy-2,3-dimethylanthraquinoneNSC321275CBDivE_0162881,4-Dihydroxy-2,3-dimethyl-9,10-anthracenedioneSCHEMBL496910
Show more names
2,3-Dimethyl-1,4-dihydroxy-9,10-anthraquinone
DTXSID901797541,4-dihydroxy-2,3-dimethyl-9,10-dihydroanthracene-9,10-dioneAKOS001028845EBC-365059NSC 321275NSC-321275DB-046611Anthraquinone, 1,4-dihydroxy-2,3-dimethyl-
Database identifiers
- CAS
25060-18-8- PubChem CID
- 100574
- DTXSID
DTXSID90179754- EC Number
- 631-057-5
- Nikkaji
- J19.807B
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 255 · 255-257 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
1 records
Compound notes
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