2-Amino-4-nitrobenzonitrile - CAS 87376-25-8
Catalog: |
BB038413 |
Product Name: |
2-Amino-4-nitrobenzonitrile |
CAS: |
87376-25-8 |
Synonyms: |
2-amino-4-nitrobenzonitrile; 2-amino-4-nitrobenzonitrile |
IUPAC Name: | 2-amino-4-nitrobenzonitrile |
Description: | 2-Amino-4-nitrobenzonitrile (CAS# 87376-25-8) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])N)C#N |
InChI: | InChI=1S/C7H5N3O2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,9H2 |
InChI Key: | WLKYODIBWNIWDK-UHFFFAOYSA-N |
Boiling Point: | 414.122 °C at 760 mmHg |
Density: | 1.411 g/cm3 |
MDL: | MFCD04117876 |
LogP: | 2.15308 |
GHS Hazard Statement: | H301 (100%): Toxic 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-112457260-A | N-heterocyclic aryl quinazoline-4-amine compound and preparation method thereof | 20201208 |
CN-109942500-A | The preparation of Rhein anilinoquinazoline analog derivative and antitumor application thereof | 20190402 |
AU-2017387695-A1 | (Aza)indole-, benzothiophene-, and benzofuran-3-sulfonamides | 20161228 |
BR-112019012550-A2 | (aza) indol-, benzothiophene- and benzofuran-3-sulfonamides | 20161228 |
CA-3045244-A1 | (aza)indole-, benzothiophene-, and benzofuran-3-sulfonamides | 20161228 |
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: | 1.8 |
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