1-Hydroxypyrene
Grundinformationen
- CAS
5315-79-7- Standard-SMILES
Oc1ccc2ccc3cccc4ccc1c2c34- InChIKey
BIJNHUAPTJVVNQ-UHFFFAOYSA-N- Summenformel
- C16H10O
- Durchschnittliche Molmasse
- 218,25 g/mol
- Monoisotopische Masse
- 218,07316494
Überblick
1-Hydroxypyrene is a member of pyrenes.
Namen und Bezeichner
- Bevorzugter Name
- 1-Hydroxypyrene
- IUPAC
- pyren-1-ol
- Englischer Name
- 1-Hydroxypyrene
- Summenformel
- C16H10O
- Molmasse
- 218.25
Namen und Synonyme
1-HYDROXYPYRENEPyren-1-ol5315-79-71-Pyrenol3-HydroxypyreneDTXSID1038298N2H6O5V707NSC-30968DTXCID9018298RefChem:433191624-224-91,5-dihydropyren-1-ol
Weitere Namen anzeigen
1-HPNSC 309683-Pyrenol1-Hydropyrene1-Hydroxypyrene>
pyrenolhydroxypyreneMFCD000445431-Hydroxy pyreneBIDD:GT0133SCHEMBL218996CS-W014791NCGC00248108-01
Datenbank-Bezeichner
- CAS
5315-79-7、63021-84-1- PubChem CID
- 21387
- DTXSID
DTXSID1038298- ChEMBL
CHEMBL3184813- ChEBI
CHEBI:34093- UNII
- N2H6O5V707
- EC Number
- 624-224-9
- Nikkaji
- J353.424C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 300
Experimentelle und physikochemische Eigenschaften
PolymersPolycyclic aromatic compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point180 °C
Physical DescriptionSolid
Collision Cross Section
141.9 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1038298]
149.26 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
148 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 179 · 179-182 °C (lit.)
- Siedepunkt
- 298.94 °C · 298.94°C (rough estimate)
- Dichte
- 1.1146 · 1.1146 (rough estimate)
- Brechungsindex
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29029090
- RTECS-Nr.
- UR2845000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Cellular LocationsMembrane
Verwendung und Herstellung
UsesThis is a toxic chemical found in cigarettes or generated by tobacco combustion.
Anwendungen
Verwenden1-Hydroxypyrene is suitable for use in following studies:To investigate the fast detection and quantification of 1-hydroxypyrene in tissue extracts from Nereis diversicolor exposed to sediment-associated pyrene by a simple fluorometric method.To investigate the effects of genetic polymorphisms of the cytochrome P450 1A1 (CYP1A1) and 2E1 (CYP2E1) and glutathione S-transferases mu (GSTM1) and theta (GSTT1) on urinary 1-hydroxypyrene and 2-naphthol levels in aircraft maintenance workers.To examine the the PAH exposure of cokery workers in an Estonian oil shale processing plant.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
2
Notizen zur Verbindung
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