4-Aminobenzonitrile - CAS 873-74-5
Catalog: |
BB038411 |
Product Name: |
4-Aminobenzonitrile |
CAS: |
873-74-5 |
Synonyms: |
4-aminobenzonitrile |
IUPAC Name: | 4-aminobenzonitrile |
Description: | 4-Aminobenzonitrile (CAS# 873-74-5) is an amino substituted benzonitrile with hypotensive activity. 4-Aminobenzonitrile is used as radioprotective agent. 4-Aminobenzonitrile is a metabolite of 4-cyanoacetanilide. |
Molecular Weight: | 118.14 |
Molecular Formula: | C7H6N2 |
Canonical SMILES: | C1=CC(=CC=C1C#N)N |
InChI: | InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2 |
InChI Key: | YBAZINRZQSAIAY-UHFFFAOYSA-N |
Boiling Point: | 286.5 ℃ at 760 mmHg |
Melting Point: | 83-87 ℃ |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
Appearance: | White to pale yellow crystalline powder |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007821 |
LogP: | 1.72168 |
Vapor Pressure: | 0.00887 [mmHg] |
GHS Hazard Statement: | H301 (87.69%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P337+P313, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22968223 | 20121021 | Solute-solvent hydrogen-bonding in room temperature ionic liquids studied by Raman spectroscopy | Physical chemistry chemical physics : PCCP |
23125681 | 20121001 | 4-Cyano-anilinium bromide | Acta crystallographica. Section E, Structure reports online |
22969524 | 20120901 | 4-Cyano-anilinium iodide | Acta crystallographica. Section E, Structure reports online |
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 |
22590254 | 20120501 | 2-(4-Amino-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium chloride | Acta crystallographica. Section E, Structure reports online |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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