4-Dimethylamino-3-nitrobenzonitrile - CAS 19005-63-1
Catalog: |
BB014692 |
Product Name: |
4-Dimethylamino-3-nitrobenzonitrile |
CAS: |
19005-63-1 |
Synonyms: |
4-(dimethylamino)-3-nitrobenzonitrile |
IUPAC Name: | 4-(dimethylamino)-3-nitrobenzonitrile |
Description: | 4-Dimethylamino-3-nitrobenzonitrile (CAS# 19005-63-1) is a useful research chemical compound. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CN(C)C1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9N3O2/c1-11(2)8-4-3-7(6-10)5-9(8)12(13)14/h3-5H,1-2H3 |
InChI Key: | ROVUKLFPIVOWOP-UHFFFAOYSA-N |
Boiling Point: | 373.6 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
Appearance: | White to brown powder or crystals |
LogP: | 2.05568 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
US-2009270363-A1 | 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof | 20080327 |
WO-2009120826-A1 | 2-aryl- and 2-heteroarylthiazolyl compounds, methods for their preparation and use thereof | 20080327 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 72.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS