4-(4-Nitrobenzyl)pyridine - CAS 1083-48-3
Catalog: |
BB002258 |
Product Name: |
4-(4-Nitrobenzyl)pyridine |
CAS: |
1083-48-3 |
Synonyms: |
4-[(4-nitrophenyl)methyl]pyridine |
IUPAC Name: | 4-[(4-nitrophenyl)methyl]pyridine |
Description: | 4-(4-Nitrobenzyl)pyridine (CAS# 1083-48-3) is a useful research chemical compound. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2 |
InChI Key: | MNHKUCBXXMFQDM-UHFFFAOYSA-N |
Boiling Point: | 383.4 ℃ at 760 mmHg |
Melting Point: | 69-71 ℃ |
Density: | 1.231 g/cm3 |
Solubility: | Soluble in acetone. Insoluble in water. |
Appearance: | Light yellow crystals or crystalline powder |
Storage: | 0-6 ℃ |
MDL: | MFCD00006445 |
LogP: | 3.10380 |
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 |
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PMID | Publication Date | Title | Journal |
23086107 | 20121207 | μ-PADs for detection of chemical warfare agents | The Analyst |
22889134 | 20121015 | Chemoassay screening of DNA-reactive mutagenicity with 4-(4-nitrobenzyl)pyridine\u2009-\u2009application to epoxides, oxetanes, and sulfur heterocycles | Chemical research in toxicology |
23107717 | 20120915 | Taurine-nitrite interaction as a precursor of alkylation mechanisms | Food chemistry |
22480281 | 20120618 | Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model | Chemical research in toxicology |
22436445 | 20120601 | Abietane diterpenes induce cytotoxic effects in human pancreatic cancer cell line MIA PaCa-2 through different modes of action | Phytochemistry |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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