Basic information
- CAS
641-13-4- Standard SMILES
O=c1c2ccc3cccc4c(=O)c5ccc6cccc1c6c5-c2c34- InChIKey
PGEHNUUBUQTUJB-UHFFFAOYSA-N- Molecular formula
- C22H10O2
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.06807956
Names & identifiers
- Preferred name
- Anthanthrone
- IUPAC
- hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
- English name
- dibenzo[def,mno]chrysene-6,12-dione
- Molecular formula
- C22H10O2
- Molecular weight
- 306.31
Names & synonyms
AnthanthroneDibenzo[def,mno]chrysene-6,12-dioneAnthanthronAnthanthrenequinoneHelanthrene Orange GKDibenzo(def,mno)chrysene-6,12-dioneNaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dioneAnthranthroneAnthanthrone orangeEINECS 211-372-0T93Y5J867CNSC-30986
Show more names
ANTHRACENE-1(4H)-THIONEDTXSID00214302NSC 30986Naphtho(7,8,1,2,3-nopqr)tetraphene-6,12-dioneRefChem:112989DTXCID60136793PGEHNUUBUQTUJB-UHFFFAOYSA-N641-13-4
Database identifiers
- CAS
641-13-4- PubChem CID
- 94183
- DTXSID
DTXSID00214302- UNII
- T93Y5J867C
- EC Number
- 211-372-0
- Nikkaji
- J7.053J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 415 ℃ · 415℃
- Boiling point
- 595.2 · 595.2±20.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3 (20 ºC 760 Torr)
- FDA UNII
- 93 Y5J867C · T93Y5J867C
Chemistry & industry
Applications
UsesDibenzo[def,mno]chrysene-6,12-dione is used as a dye intermediate. It is used in the production of Brilliant Orange RK, vat-type BG, and lysothene-based Brilliant Orange IRK, etc.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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