1,4-Dimethylnaphthalene - CAS 571-58-4
Catalog: |
BB029594 |
Product Name: |
1,4-Dimethylnaphthalene |
CAS: |
571-58-4 |
Synonyms: |
1,4-dimethylnaphthalene |
IUPAC Name: | 1,4-dimethylnaphthalene |
Description: | 1,4-Dimethylnaphthalene (CAS# 571-58-4) is a polycyclic aromatic hydrocarbon (PAH) that has been found in dust particulate matter and is associated with activation of aryl hydrocarbon receptor as a major toxic mode of action in WB-F344 cell line. 1,4-Dimethylnaphthalene has been found to retard the development of epidermoid carcinomas in hamster buccal pouch. 1,4-Dimethylnaphthalene alters the genes associated with the maintenance of a G1/S phase block possibly through the induction of the cell cycle inhibitors KRP1 and KRP2 in potatoes. |
Molecular Weight: | 156.22 |
Molecular Formula: | C12H12 |
Canonical SMILES: | CC1=CC=C(C2=CC=CC=C12)C |
InChI: | InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3 |
InChI Key: | APQSQLNWAIULLK-UHFFFAOYSA-N |
Boiling Point: | 268 °C at 760 mmHg |
Density: | 1.016 g/cm3 |
Appearance: | Clear red liquid |
MDL: | MFCD00004037 |
LogP: | 3.45660 |
Vapor Pressure: | 0.0084 [mmHg] |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral]; H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P330, P331, P337+P317, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-6942404-B1 | Power generation elements, power generation equipment, electronic devices, power generation methods, and manufacturing methods of power generation elements | 20210705 |
CN-113336640-A | Method for reducing content of 1, 4-naphthalenedicarboxylic acid impurities | 20210607 |
CN-113461511-A | Preparation method of 1, 4-naphthalenedicarboxylic acid | 20210607 |
CN-113087725-A | Diazosulfide deuterated derivative and application thereof in organic electronic device | 20210406 |
CN-113072563-A | Benzotriazole deuterated derivative and application thereof in organic electronic device | 20210331 |
PMID | Publication Date | Title | Journal |
29094189 | 20180201 | Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons | Archives of toxicology |
22847738 | 20120921 | Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen | Organic & biomolecular chemistry |
22860895 | 20120823 | Triplet excited state behavior of naphthalene-based pseudopeptides in the presence of energy donors | The journal of physical chemistry. B |
22113341 | 20120801 | The sprout inhibitor 1,4-dimethylnaphthalene induces the expression of the cell cycle inhibitors KRP1 and KRP2 in potatoes | Functional & integrative genomics |
22036075 | 20120201 | Ralstonia sp. U2 naphthalene dioxygenase and Comamonas sp. JS765 nitrobenzene dioxygenase show differences in activity towards methylated naphthalenes | Journal of bioscience and bioengineering |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.093900383 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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