4-Amino-3-nitrobenzonitrile - CAS 6393-40-4
Catalog: |
BB032329 |
Product Name: |
4-Amino-3-nitrobenzonitrile |
CAS: |
6393-40-4 |
Synonyms: |
4-amino-3-nitrobenzonitrile |
IUPAC Name: | 4-amino-3-nitrobenzonitrile |
Description: | Gamma irradiations effect on release of 4-amino-3-nitrobenzonitrile from polyanhydride matrixes. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2 |
InChI Key: | JAHADAZIDZMHOP-UHFFFAOYSA-N |
Boiling Point: | 349.8 °C at 760 mmHg |
Melting Point: | 159-163 °C |
Purity: | 95 % |
Density: | 1.41 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00013373 |
LogP: | 2.15308 |
GHS Hazard Statement: | H315 (97.73%): 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 |
19010569 | 20090501 | Synthesis and antiparasitic and antifungal evaluation of 2'-arylsubstituted-1H,1'H-[2,5']bisbenzimidazolyl-5-carboxamidines | European journal of medicinal chemistry |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 95.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
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