2,3-Dichloro-6-nitrobenzonitrile - CAS 2112-22-3
Catalog: |
BB016621 |
Product Name: |
2,3-Dichloro-6-nitrobenzonitrile |
CAS: |
2112-22-3 |
Synonyms: |
2,3-dichloro-6-nitrobenzonitrile |
IUPAC Name: | 2,3-dichloro-6-nitrobenzonitrile |
Description: | Anagrelide intermediate. |
Molecular Weight: | 217.01 |
Molecular Formula: | C7H2Cl2N2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1[N+](=O)[O-])C#N)Cl)Cl |
InChI: | InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)4(3-10)7(5)9/h1-2H |
InChI Key: | RDFDRMZYAXQLRT-UHFFFAOYSA-N |
Boiling Point: | 343.7 °C at 760 mmHg |
Melting Point: | 93-96 °C |
Purity: | 95 % |
Density: | 1.61 g/cm3 |
Appearance: | Brown solid |
Storage: | Refrigerator |
MDL: | MFCD00728596 |
LogP: | 3.29648 |
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 |
Publication Number | Title | Priority Date |
CN-102757434-A | Preparation method for industrial amplified production of anagrelide hydrochloride active pharmaceutical ingredient | 20120807 |
CN-102757434-B | Preparation method for industrial amplified production of anagrelide hydrochloride active pharmaceutical ingredient | 20120807 |
JP-2009256730-A | Surface treatment method for electronic parts | 20080417 |
EP-2222375-A1 | Improved process for the manufacture of anagrelide hidrochloride monhydrate | 20071219 |
US-2010305318-A1 | Process for the Manufacture of Anagrelide Hydrochloride Monohydrate | 20071219 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9493327 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9493327 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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