The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4-Methoxy-2-nitrophenyl isocyanate - 97%, high purity , CAS No.117162-85-3
Basic Description
Synonyms
1-isocyanato-4-methoxy-2-nitrobenzene | 117162-85-3 | 4-Methoxy-2-nitrophenyl isocyanate | 4-METHOXY-2-NITROPHENYL ISOCYANATE 97 | SCHEMBL3836840 | 4-methoxy-2-nitrophenylisocyanate | DTXSID00403193 | MFCD01863696 | STK504605 | AKOS000265755 | 4-Methoxy-2-nitrophenyl isocya
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Isocyanate - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-isocyanato-4-methoxy-2-nitrobenzene
INCHI
InChI=1S/C8H6N2O4/c1-14-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
InChIKey
FSQHKLWMIIFYNP-UHFFFAOYSA-N
Smiles
COC1=CC(=C(C=C1)N=C=O)[N+](=O)[O-]
Isomeric SMILES
COC1=CC(=C(C=C1)N=C=O)[N+](=O)[O-]
WGK Germany
3
Molecular Weight
194.14
Reaxy-Rn
27046907
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27046907&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
194.140 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
194.033 Da
Monoisotopic Mass
194.033 Da
Topological Polar Surface Area
84.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
257.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
