Basic information
- CAS
3074-00-8- Standard SMILES
O=C1c2cccc3ccc4ccc5cccc1c5c4c23- InChIKey
CLIKSBRDCNSYNO-UHFFFAOYSA-N- Molecular formula
- C19H10O
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.07316494
Names & identifiers
- Preferred name
- 6H-Benzo[cd]pyren-6-one
- IUPAC
- pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,14-nonaen-19-one
- English name
- 6H-Benzo[cd]pyren-6-one
- Molecular formula
- C19H10O
- Molecular weight
- 254.28
Names & synonyms
6H-benzo[cd]pyren-6-one3074-00-86H-BENZO(CD)PYREN-6-ONECCRIS 3172UNII-M9WAZ0827HNSC 74892M9WAZ0827HNSC-74892DTXSID60184759RefChem:105381DTXCID50107250CLIKSBRDCNSYNO-UHFFFAOYSA-N
Show more names
77681, 6H-Benzo[cd]pyren-6-one (purity)
NaphthanthroneNaphthanthrone (VAN)BENZO (c,d) PYREN-6-ONE (purity)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,14-nonaen-19-oneNSC74892Benzo[cd]pyren-6-oneNCIOpen2_003980SCHEMBL28818195
Database identifiers
- CAS
3074-00-8- PubChem CID
- 18310
- DTXSID
DTXSID60184759- UNII
- M9WAZ0827H
- Nikkaji
- J213.063G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 249 · 249-250℃
- Boiling point
- 509.5 · 509.5±17.0 °C(Predicted)
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- BRN
- 2052940 · 2052940
- FDA UNII
- 9 WAZ0827H · M9WAZ0827H
- EPA Substance Registry System
- 6 H-Benzo[cd]pyren-6-one · 6H-Benzo[cd]pyren-6-one (3074-00-8)
- Toxicity
- 43 mg/ · msc-hmn-lym 43 mg/ MUREAV 371,123,1996
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
- Toxicity
- msc-hmn-lym 43 mg/ MUREAV 371,123,1996
Chemistry & industry
Applications
Uses6H-Benzo[cd]pyren-6-one is a polycyclic aromatic hydrocarbon ketone that has fluorescent properties and is a common air contaminant. It is also a potentially carcinogenic and polar constituent of carbon black.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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