4-Methoxy-2-nitrobenzonitrile - CAS 38469-83-9
Catalog: |
BB023677 |
Product Name: |
4-Methoxy-2-nitrobenzonitrile |
CAS: |
38469-83-9 |
Synonyms: |
4-methoxy-2-nitrobenzonitrile |
IUPAC Name: | 4-methoxy-2-nitrobenzonitrile |
Description: | 4-Methoxy-2-nitrobenzonitrile (CAS# 38469-83-9) is a useful research chemical. |
Molecular Weight: | 178.14 |
Molecular Formula: | C8H6N2O3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3 |
InChI Key: | UUYPUFCWSUBTFP-UHFFFAOYSA-N |
Boiling Point: | 364.5 °C at 760 mmHg |
Melting Point: | 137-140 °C |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
MDL: | MFCD00667741 |
LogP: | 1.99828 |
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 |
CN-109553534-A | A kind of preparation method of 2- nitro -4- methoxy benzoic acid | 20181127 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
AU-2016274694-A1 | Aminobenzisoxazole compounds as agonists of A7-nicotinic acetylcholine receptors | 20150610 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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