Pyrene - CAS 129-00-0
Catalog: |
BB006961 |
Product Name: |
Pyrene |
CAS: |
129-00-0 |
Synonyms: |
pyrene |
Application: |
Fluorescent Dyes |
IUPAC Name: | pyrene |
Description: | Pyrene is a polycyclic aromatic hydrocarbon consisting of four fused benzene rings, resulting in a flat aromatic system. Pyrene occurs in coal tar. Also obtained by the destructive hydrogenation of hard coal. |
Molecular Weight: | 202.25 |
Molecular Formula: | C16H10 |
Canonical SMILES: | C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 |
InChI: | InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H |
InChI Key: | BBEAQIROQSPTKN-UHFFFAOYSA-N |
Boiling Point: | 393 °C |
Melting Point: | 140-145 °C |
Flash Point: | >200.0 °C (>392.0 °F) |
Purity: | > 95 % |
Density: | 1.271 g/cm3 |
Solubility: | less than 1 mg/mL at 72 °F |
Appearance: | Light to dark brown solid |
Storage: | Sealed in dry, Room Temperature |
Decomposition: | Hazardous decomposition products formed under fire conditions - carbon oxides |
MDL: | MFCD00004136 |
LogP: | 4.58400 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 2.6 mmHg at 392.7 °F ; 6.90 mmHg at 429.4 °F |
GHS Hazard Statement: | H315 (73.11%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429393-A | Anthracene-indole derivative, material for organic electroluminescent element, light-emitting element, and consumer product | 20210826 |
CN-113433251-A | Large-flux rapid detection method for benzo [ a ] pyrene in blood and application | 20210826 |
CN-113433252-A | Method for synchronously measuring multiple polycyclic aromatic hydrocarbons in blood and application | 20210826 |
CN-113501812-A | Triarylamine compound and organic electroluminescent device thereof | 20210812 |
CN-113426159-A | Solid phase micro-extraction tube, preparation method thereof, extraction device and application | 20210804 |
PMID | Publication Date | Title | Journal |
33049310 | 20210401 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
33249052 | 20210101 | Mixture effects of food-relevant polycyclic aromatic hydrocarbons on the activation of nuclear receptors and gene expression, benzo[a]pyrene metabolite profile and DNA damage in HepaRG cells | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
32890658 | 20201201 | Classifying polycyclic aromatic hydrocarbons by carcinogenic potency using in vitro biosignatures | Toxicology in vitro : an international journal published in association with BIBRA |
32993298 | 20201116 | Altered Metabolism of Polycyclic Aromatic Hydrocarbons by UDP-Glycosyltransferase 3A2 Missense Variants | Chemical research in toxicology |
30980910 | 20190801 | Compounds of PAH mixtures dependent interaction between multiple signaling pathways in granulosa tumour cells | Toxicology letters |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.078250319 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.078250319 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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