4-Chloro-2-nitrobenzonitrile - CAS 34662-32-3
Catalog: |
BB022230 |
Product Name: |
4-Chloro-2-nitrobenzonitrile |
CAS: |
34662-32-3 |
Synonyms: |
4-chloro-2-nitrobenzonitrile |
IUPAC Name: | 4-chloro-2-nitrobenzonitrile |
Description: | 4-Chloro-2-nitrobenzonitrile (CAS# 34662-32-3) is a useful research chemical. |
Molecular Weight: | 182.56 |
Molecular Formula: | C7H3ClN2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H |
InChI Key: | OZKOAADVLVCNFO-UHFFFAOYSA-N |
Boiling Point: | 313.5 ℃ at 760 mmHg |
Melting Point: | 99-101 ℃ |
Purity: | 95 % |
Density: | 1.47 g/cm3 |
Appearance: | Slight yellow needle crystal |
MDL: | MFCD00027398 |
LogP: | 2.64308 |
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-111499539-A | Aryl cyanide synthesis method using aryl carboxylic acid as raw material | 20200420 |
WO-2020048595-A1 | Novel cyclic amidine compounds for the treatment of autoimmune disease | 20180906 |
CN-112654618-A | Novel cyclic amidine compounds for the treatment of autoimmune diseases | 20180906 |
EP-3847170-A1 | Novel cyclic amidine compounds for the treatment of autoimmune disease | 20180906 |
CN-108558778-B | Dihydro quinazolinone compound and preparation method thereof | 20180523 |
PMID | Publication Date | Title | Journal |
11459640 | 20010723 | Nitrobenzene compounds inhibit expression of VCAM-1 | Bioorganic & medicinal chemistry letters |
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 |
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