4-Nitrobenzonitrile - CAS 619-72-7
Catalog: |
BB031359 |
Product Name: |
4-Nitrobenzonitrile |
CAS: |
619-72-7 |
Synonyms: |
4-nitrobenzonitrile |
IUPAC Name: | 4-nitrobenzonitrile |
Description: | 4-Nitrobenzonitrile (CAS# 619-72-7) is a useful research chemical. |
Molecular Weight: | 148.12 |
Molecular Formula: | C7H4N2O2 |
Canonical SMILES: | C1=CC(=CC=C1C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H |
InChI Key: | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
Boiling Point: | 307.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.31 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00007279 |
LogP: | 1.98968 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113292454-A | AIE molecule with cinnamonitrile as framework structure and preparation method and application thereof | 20210603 |
CN-113304768-A | Application of monoatomic Pt catalyst in reaction for preparing arylamine compound by selective hydrogenation of nitroaromatic | 20210526 |
CN-112812027-A | Methoxyaniline compound and synthetic method thereof | 20210106 |
CN-112479930-A | Alpha-phenyl cinnamonitrile derivative, preparation method and application thereof | 20201223 |
CN-112697897-A | Derivatization reagent and application thereof | 20201207 |
PMID | Publication Date | Title | Journal |
22765346 | 20120716 | Preparation of a family of hexanuclear rhenium cluster complexes containing 5-(phenyl)tetrazol-2-yl ligands and alkylation of 5-substituted tetrazolate ligands | Inorganic chemistry |
21641856 | 20110901 | Investigation into the regiochemistry of some isoxazoles derived from 1,3-dipolar cycloaddition of 4-nitrobenzonitrile oxide with some dipolarophiles: a combined theoretical and experimental studies | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
20386659 | 20100209 | Anchoring of a single molecular rotor and its array on metal surfaces using molecular design and self-assembly | International journal of molecular sciences |
20066278 | 20100121 | Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent | Organic & biomolecular chemistry |
18800527 | 20080901 | Effect of natural organic matter on the reduction of nitroaromatics by Fe(II) species | Environmental science & technology |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.027277375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS