2-Amino-5-nitrobenzonitrile - CAS 17420-30-3
Catalog: |
BB012992 |
Product Name: |
2-Amino-5-nitrobenzonitrile |
CAS: |
17420-30-3 |
Synonyms: |
2-amino-5-nitrobenzonitrile |
IUPAC Name: | 2-amino-5-nitrobenzonitrile |
Description: | 2-Amino-5-nitrobenzonitrile (CAS# 17420-30-3) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C#N)N |
InChI: | InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2 |
InChI Key: | MGCGMYPNXAFGFA-UHFFFAOYSA-N |
Boiling Point: | 383.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.41 g/cm3 |
Appearance: | Yellow to brownish powder |
MDL: | MFCD00007362 |
LogP: | 2.15308 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501793-A | Preparation method of stable isotope labeled nitrazepam internal standard reagent | 20210805 |
CN-113480449-A | Novel process for continuously nitrifying and synthesizing 2-cyano-4-nitrochlorobenzene by solvent method | 20210705 |
CN-113480450-A | Aromatic diamine monomer containing cyano structure and preparation method thereof, polyimide film and preparation method and application thereof | 20210622 |
CN-113072509-A | Method for synthesizing 7-amino clonazepam compound | 20210301 |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
PMID | Publication Date | Title | Journal |
14712040 | 20040101 | Hydrogen bonding in C-substituted nitroanilines: pi-stacked sheets of R4 4(20) and R4 4(28) rings in 2-cyano-4-nitroaniline | Acta crystallographica. Section C, Crystal structure communications |
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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