Basic information
- Standard SMILES
CCc1cc2c3ccccc3ccc2c2ccccc12- InChIKey
ZJSYTTGSPQNXKT-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 6-Ethylchrysene
- IUPAC
- 6-ethylchrysene
- English name
- 6-ETHYLCHRYSENE
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
6-Ethylchrysene2732-58-3EINECS 220-349-4DTXSID00181767RefChem:104615DTXCID40104258220-349-4ZJSYTTGSPQNXKT-UHFFFAOYSA-NChrysene, 6-ethyl-A473TZ9BQQSCHEMBL10484179MFCD00014257
Show more names
6-Ethylchrysene in toluene
DB-047201NS00028285
Database identifiers
- CAS
2732-58-3- PubChem CID
- 75951
- DTXSID
DTXSID00181767- UNII
- A473TZ9BQQ
- EC Number
- 220-349-4
- Nikkaji
- J299.202G
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 126.4 · 126.4-126.8 °C
- Boiling point
- 457.2 · 457.2±12.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Henry's Law Constant
- 1.8 · 1.8×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
Chemistry & industry
Applications
Uses6-Ethylchrysene is a persistent organic pollutant (POP). It is a derivative of chrysene (C428000) which is considered as a carcinogen.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Linked notes
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