Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 1,10-dichloro-
Basic information
- CAS
3566-65-2- Standard SMILES
O=C1c2c(Cl)cccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)-c1cccc(Cl)c1C5=O- InChIKey
WVUKPEABWVANMB-UHFFFAOYSA-N- Molecular formula
- C34H14Cl2O2
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.0370851
Names & identifiers
- Preferred name
- Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 1,10-dichloro-
- IUPAC
- 10,25-dichlorononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6(11),7,9,13,15,17(31),18,20(32),21(26),22,24,28,33-hexadecaene-12,27-dione
- English name
- 1,10-Dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
- Molecular formula
- C34H14Cl2O2
- Molecular weight
- 525.39
Names & synonyms
1,10-DichloroisoviolanthroneBenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 1,10-dichloro-DTXSID9063081Benzo(rst)phenanthro(10,1,2-cde)pentaphene-9,18-dione, 1,10-dichloro-RefChem:565219DTXCID90390721,10-dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione3566-65-2WVUKPEABWVANMB-UHFFFAOYSA-N
Database identifiers
- CAS
3566-65-2- PubChem CID
- 77109
- DTXSID
DTXSID9063081- Nikkaji
- J421.686E
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 946
Physicochemical properties
- EPA Substance Registry System
- 10 · Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 1,10-dichloro- (3566-65-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 1,10-dichloro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…