Anthra[9,1,2-cde]benzo[rst]pentaphene, trichloro-5,10-diethoxy-
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Basic information
- CAS
40537-72-2- Standard SMILES
CCOc1c2ccccc2c2ccc3c4c(Cl)c(Cl)c5c6ccccc6c(OCC)c6ccc(c7c(Cl)cc1c2c37)c4c65- InChIKey
ZKTIYNAZFIWRSM-UHFFFAOYSA-N- Molecular formula
- C38H23Cl3O2
- Average molar mass
- 617.9 g/mol
- Monoisotopic mass
- 616.076363
Names & identifiers
- Preferred name
- Anthra[9,1,2-cde]benzo[rst]pentaphene, trichloro-5,10-diethoxy-
- IUPAC
- 15,29,30-trichloro-12,21-diethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24,26,28(32),29,33-heptadecaene
- English name
- trichloro-5,10-diethoxyviolanthrene
- Molecular formula
- C38H25Cl3O2
- Molecular weight
- 619.9629
Names & synonyms
EINECS 254-962-3Anthra(9,1,2-cde)benzo(rst)pentaphene, trichloro-5,10-diethoxy-Anthra[9,1,2-cde]benzo[rst]pentaphene, trichloro-5,10-diethoxy-Dinaphtho(1,2,3-cd:3',2',1'-lm)perylene, trichloro-5,10-diethoxy-RefChem:55819640537-72-2Trichloro-5,10-diethoxyviolanthrene7,15,16-trichloro-5,10-diethoxyanthra[9,1,2-cde]benzo[rst]pentapheneDTXSID80960951ZKTIYNAZFIWRSM-UHFFFAOYSA-NNS00127234
Database identifiers
- CAS
40537-72-2- PubChem CID
- 170387
- DTXSID
DTXSID80960951- EC Number
- 254-962-3
Properties
Computed structural propertiesFilling in
- XLogP
- 12.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- EPA Substance Registry System
- 9 · Anthra[9,1,2-cde]benzo[rst]pentaphene, trichloro-5,10-diethoxy- (40537-72-2)
- 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 InformationAnthra[9,1,2-cde]benzo[rst]pentaphene, trichloro-5,10-diethoxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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