Benzo(a)pyrene, 6-chloro-
Basic information
- CAS
21248-01-1- Standard SMILES
Clc1c2ccccc2c2ccc3cccc4ccc1c2c43- InChIKey
YBIBTKJSLUJSSJ-UHFFFAOYSA-N- Molecular formula
- C20H11Cl
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.054928
Names & identifiers
- Preferred name
- Benzo(a)pyrene, 6-chloro-
- IUPAC
- 6-chlorobenzo[a]pyrene
- English name
- 6-Chlorobenzo(a)pyrene
- Molecular formula
- C20H11Cl
- Molecular weight
- 286.75
Names & synonyms
6-chlorobenzo[a]pyrene6-Chlorobenzo(a)pyrene6-Chlorobenzeno(a)pyreneBENZO(a)PYRENE, 6-CHLORO-Benzo[a]pyrene, 6-chloro-BRN 2464084DTXSID501754943-05-00-02520 (Beilstein Handbook Reference)RefChem:326092DTXCID709798521248-01-16-Chlorobenzo[pqr]tetraphene
Show more names
6-Chlorobenzo[a]pyrene in toluene6-Chlorobenzo[a]pyrene in isooctane6-Chlorobenzo[a]pyrene in acetonitrile
SCHEMBL29000581MFCD01662880SY297988DB-219828
Database identifiers
- CAS
21248-01-1- PubChem CID
- 30546
- DTXSID
DTXSID50175494- Nikkaji
- J87.905C
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 209.5 °C · 209.5°C
- Boiling point
- 369.01 °C · 369.01°C (rough estimate)
- Density
- 1.1533 · 1.1533 (rough estimate)
- refractive index
- 1.6281 · 1.6281 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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