Bis(4-nitrophenyl) phosphate - CAS 645-15-8
Catalog: |
BB032489 |
Product Name: |
Bis(4-nitrophenyl) phosphate |
CAS: |
645-15-8 |
Synonyms: |
bis(4-nitrophenyl) hydrogen phosphate |
IUPAC Name: | bis(4-nitrophenyl) hydrogen phosphate |
Description: | Bis(4-nitrophenyl) phosphate (CAS# 645-15-8) is used for Phosphodiesterase Substrate. |
Molecular Weight: | 340.18 |
Molecular Formula: | C12H9N2O8P |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20) |
InChI Key: | MHSVUSZEHNVFKW-UHFFFAOYSA-N |
Boiling Point: | 545.7 °C at 760 mmHg |
Melting Point: | 172-175 °C |
Purity: | 95 % |
Density: | 1.614 g/cm3 |
Appearance: | Off-white solid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007318 |
LogP: | 4.10760 |
GHS Hazard Statement: | H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
27665777 | 20160101 | Metabolism of methiocarb and carbaryl by rat and human livers and plasma, and effect on their PXR, CAR and PPARα activities | The Journal of toxicological sciences |
26321725 | 20151201 | Hydrolytic metabolism of phenyl and benzyl salicylates, fragrances and flavoring agents in foods, by microsomes of rat and human tissues | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
24752505 | 20140701 | Contribution of carboxylesterase and cytochrome P450 to the bioactivation and detoxification of isocarbophos and its enantiomers in human liver microsomes | Toxicological sciences : an official journal of the Society of Toxicology |
24727322 | 20140615 | P-glycoprotein, CYP3A, and plasma carboxylesterase determine brain and blood disposition of the mTOR Inhibitor everolimus (Afinitor) in mice | Clinical cancer research : an official journal of the American Association for Cancer Research |
23123248 | 20130325 | Inhibition of human carboxylesterases hCE1 and hiCE by cholinesterase inhibitors | Chemico-biological interactions |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.00965225 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.00965225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 147 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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