1-Hydroxypyrene - CAS 5315-79-7
Catalog: |
BB028067 |
Product Name: |
1-Hydroxypyrene |
CAS: |
5315-79-7 |
Synonyms: |
pyren-1-ol |
IUPAC Name: | pyren-1-ol |
Description: | Found in humane urine after exposure to coal tar and a coal derived product. |
Molecular Weight: | 218.25 |
Molecular Formula: | C16H10O |
Canonical SMILES: | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O |
InChI: | InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H |
InChI Key: | BIJNHUAPTJVVNQ-UHFFFAOYSA-N |
Boiling Point: | 437.4 ℃ at 760 mmHg |
Melting Point: | 179-182 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.36 g/cm3 |
Appearance: | Pale yellow solid |
Storage: | Refrigerator |
MDL: | MFCD00044543 |
LogP: | 4.28960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113433252-A | Method for synchronously measuring multiple polycyclic aromatic hydrocarbons in blood and application | 20210826 |
CN-113155798-A | Application of hydroxypyrene as pH fluorescent probe | 20210422 |
CN-112679377-A | Preparation method of N-acylpyrene amine and preparation method of 1-hydroxypyrene | 20201225 |
KR-102226175-B1 | Method for preparing hydroxypyrene compound with high purity | 20201111 |
CN-112275322-A | Preparation method and application of supported CNTs @ NHC-Cu catalytic material | 20201103 |
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 |
32993298 | 20201116 | Altered Metabolism of Polycyclic Aromatic Hydrocarbons by UDP-Glycosyltransferase 3A2 Missense Variants | Chemical research in toxicology |
33149638 | 20200101 | Association of Urinary Polycyclic Aromatic Hydrocarbons and Diabetes in Korean Adults: Data from the Korean National Environmental Health Survey Cycle 2 (2012-2014) | Diabetes, metabolic syndrome and obesity : targets and therapy |
31228248 | 20190622 | Cardiovascular disease-related serum proteins in workers occupationally exposed to polycyclic aromatic hydrocarbons | Toxicological sciences : an official journal of the Society of Toxicology |
30951957 | 20190601 | The impact on T-regulatory cell related immune responses in rural women exposed to polycyclic aromatic hydrocarbons (PAHs) in household air pollution in Gansu, China: A pilot investigation | Environmental research |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.073164938 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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