1,3-Dichloropyrene
Basic information
- CAS
89315-20-8- Standard SMILES
Clc1cc(Cl)c2ccc3cccc4ccc1c2c43- InChIKey
XYLXEWWJLMKRCG-UHFFFAOYSA-N- Molecular formula
- C16H8Cl2
- Average molar mass
- 271.1 g/mol
- Monoisotopic mass
- 270.0003056
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,3-Dichloropyrene
- IUPAC
- 1,3-dichloropyrene
- English name
- 1,3-dichloropyrene
- Molecular weight
- 0
Names & synonyms
1,3-Dichloropyrene89315-20-8DTXSID00237612RefChem:72638DTXCID50160103Pyrene, 1,3-dichloro-, (-)-Pyrene, 1,3-dichloro-1,3-dichloro-pyreneSCHEMBL11767590PDA31520NS001329371,3-Dichloropyrene; 1,3-Dichloropyrene (ACI); Pyrene, 1,3-dichloro- (9CI, ACI)
Database identifiers
- CAS
89315-20-8- PubChem CID
- 128945
- DTXSID
DTXSID00237612- Nikkaji
- J66.505C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Chemistry & industry
Applications
Uses1,3-Dichloropyrene is a chlorinated polycyclic aromatic hydrocarbon with mutagenic effects on Salmonella typhimurium TA 98 and 100 strains.
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Related reactions
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Compound notes
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