Basic information
- CAS
6407-55-2- Standard SMILES
COc1cccc2c1C(=O)c1c(OC)cccc1C2=O- InChIKey
QCSZITHNACKGTF-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 1,8-Dimethoxyanthraquinone
- IUPAC
- 1,8-dimethoxyanthracene-9,10-dione
- English name
- 1,8-dimethoxyanthraquinone
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
1,8-Dimethoxyanthraquinone9,10-Anthracenedione, 1,8-dimethoxy-1,8-Dimethoxy-9,10-anthracenedioneNSC 30460EINECS 229-036-7NSC 234746Danthron di-methyl derivativeDTXSID7064314RefChem:73755DTXCID6044195229-036-7QCSZITHNACKGTF-UHFFFAOYSA-N
Show more names
Dimethyldanthrone1,8-Dimethoxy-9,10-anthraquinoneAnthraquinone, 1,8-dimethoxy- (8ci)
6407-55-21,8-dimethoxyanthracene-9,10-dioneAnthraquinone, 1,8-dimethoxy-NPF2MDR3G2NSC-30460NSC-2347461,8-DIMETHOXY-9,10-DIHYDROANTHRACENE-9,10-DIONE9, 1,8-dimethoxy-
Database identifiers
- CAS
6407-55-2- PubChem CID
- 80827
- DTXSID
DTXSID7064314- UNII
- NPF2MDR3G2
- EC Number
- 229-036-7
- Nikkaji
- J81.217J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 223 °C · 223 °C
- Boiling point
- 462.1 · 462.1±45.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- FDA UNII
- 2 MDR3G2 · NPF2MDR3G2
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,8-dimethoxy- (6407-55-2)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,8-dimethoxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers10 total
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
1 records
Compound notes
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