Basic information
- CAS
65122-11-4- Standard SMILES
O=C1c2cc(Cl)ccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)-c1ccc(Cl)cc1C5=O- InChIKey
DCRJAUKEOAHQJI-UHFFFAOYSA-N- Molecular formula
- C34H14Cl2O2
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.0370851
Overview
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Names & identifiers
- Preferred name
- 2,11-Dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
- IUPAC
- 9,24-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
- 2,11-dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
- Molecular formula
- C34H14Cl2O2
- Molecular weight
- 525.38
Names & synonyms
Isoviolanthrone, 2,11-dichloro-EINECS 265-480-82,11-Dichlorobenzo(rst)phenanthro(10,1,2-cde)pentaphene-9,18-dioneDTXSID50702342,11-Dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dioneBenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 2,11-dichloro-Benzo(rst)phenanthro(10,1,2-cde)pentaphene-9,18-dione, 2,11-dichloro-RefChem:241901DTXCID2044507265-480-865122-11-4Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, dichloro-
Show more names
SCHEMBL12960390DCRJAUKEOAHQJI-UHFFFAOYSA-NAHCOVAT BRILLIANT VIOLET 4 RAKOS015913763NS00035812
Database identifiers
- CAS
65122-11-4- PubChem CID
- 103233
- DTXSID
DTXSID5070234- EC Number
- 265-480-8
- Nikkaji
- J307.290H
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, 2,11-dichloro- (65122-11-4)
- 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, 2,11-dichloro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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