Basic information
- CAS
2652-25-7- Standard SMILES
COc1ccc(C23Oc4cc(OC(C)=O)ccc4C(c4cccc(OC)c4O2)C3C)cc1- InChIKey
PCTPNZUXYWWIEQ-UHFFFAOYSA-N- Molecular formula
- C26H24O6
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.15728849
Names & identifiers
- Preferred name
- 6,12-Methano-12H-dibenzo(d,g)(1,3)dioxocin-3-ol, 8-methoxy-6-(p-methoxyphenyl)-13-methyl-, acetate
- IUPAC
- [12-methoxy-9-(4-methoxyphenyl)-17-methyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl] acetate
- English name
- Dyestuff
- Molecular formula
- C26H24O6
- Molecular weight
- 432.47
Names & synonyms
C.I. Mordant Black 98-Methoxy-6-(p-methoxyphenyl)-13-methyl-6,12-methano-12H-dibenzo(d,g)(1,3)dioxocin-3-ol acetate2652-25-76,12-Methano-12H-dibenzo(d,g)(1,3)dioxocin-3-ol, 8-methoxy-6-(p-methoxyphenyl)-13-methyl-, acetateRefChem:305962[12-methoxy-9-(4-methoxyphenyl)-17-methyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl] acetateMORDANT BLACK 9SCHEMBL29679820DTXSID90949378PCTPNZUXYWWIEQ-UHFFFAOYSA-N8-Methoxy-6-(4-methoxyphenyl)-13-methyl-6H,12H-6,12-methanodibenzo[d,g][1,3]dioxocin-3-yl acetateBASIC BLACK
Show more names
DyestuffSULPHUR LEMONSULPHUR OLIVEDIRCET BLUE 2BBRILLIIANT GREENAURAMINE（LIQUID）SULPHUR YELLOW GCCATIONIC PINK X-FGSULPHUR BORDEAUX R
Database identifiers
- CAS
2652-25-7- PubChem CID
- 102864
- DTXSID
DTXSID90949378- Nikkaji
- J1.559.177C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Melting point
- 196 · 196-197 °C
- Boiling point
- 543.9 · 543.9±50.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 9 · C.I. Mordant Black 9 (2652-25-7)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
career henan chemical co+86-0371-86658258 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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