2-Chloro-5-nitrobenzonitrile - CAS 16588-02-6
Catalog: |
BB012225 |
Product Name: |
2-Chloro-5-nitrobenzonitrile |
CAS: |
16588-02-6 |
Synonyms: |
Benzonitrile, 2-chloro-5-nitro-; 1-Chloro-2-cyano-4-nitrobenzene; 2-Chloro-5-nitrobenzenenitrile; 6-Chloro-3-nitrobenzonitrile; NSC 28973 |
IUPAC Name: | 2-chloro-5-nitrobenzonitrile |
Molecular Weight: | 182.56 |
Molecular Formula: | C7H3ClN2O2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl |
InChI: | InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H |
InChI Key: | ZGILLTVEEBNDOB-UHFFFAOYSA-N |
Boiling Point: | 300.3±27.0°C at 760 mmHg |
Melting Point: | 108-109°C |
Purity: | ≥95% |
Density: | 1.47±0.1 g/cm3 |
Solubility: | Soluble in Ethanol |
Appearance: | White to Orange to Green to Crystal |
Storage: | Store at RT |
MDL: | MFCD00007292 |
LogP: | 2.64308 |
GHS Hazard Statement: | H312 (86.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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-211373788-U | Processing weighing equipment for catalytic synthesis of 2-cyano-4-nitroaniline | 20191218 |
CN-110690502-A | Preparation method and application of inorganic ceramic-polyimide composite electrolyte | 20190929 |
CN-110683966-A | Process for preparing 2-cyano-4-nitroaniline by using microchannel reaction | 20190811 |
PMID | Publication Date | Title | Journal |
11459640 | 20010723 | Nitrobenzene compounds inhibit expression of VCAM-1 | Bioorganic & medicinal chemistry letters |
8867999 | 19960201 | Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes | Xenobiotica; the fate of foreign compounds in biological systems |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.9883050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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