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1,4-Diiodo-2-methoxy-5-nitrobenzene - 97%, high purity , CAS No.55215-55-9
Basic Description
Synonyms
1,4-Diiodo-2-methoxy-5-nitrobenzene | 55215-55-9 | 3,6-diiodo-4-nitroanisole | C7H5I2NO3 | SCHEMBL14782151 | FHHITWDCJKUHAS-UHFFFAOYSA-N | DTXSID601295002 | AKOS025405557 | DS-9845 | C75586
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
Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Iodobenzenes Alkyl aryl ethers Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Iodoalkenes Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Iodobenzene - Halobenzene - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Organic oxoazanium - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen compound - 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
Pubchem Sid
504772538
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772538
IUPAC Name
1,4-diiodo-2-methoxy-5-nitrobenzene
INCHI
InChI=1S/C7H5I2NO3/c1-13-7-3-4(8)6(10(11)12)2-5(7)9/h2-3H,1H3
InChIKey
FHHITWDCJKUHAS-UHFFFAOYSA-N
Smiles
COC1=C(C=C(C(=C1)I)[N+](=O)[O-])I
Isomeric SMILES
COC1=C(C=C(C(=C1)I)[N+](=O)[O-])I
Molecular Weight
404.93
Reaxy-Rn
1963784
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963784&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
404.930 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
404.836 Da
Monoisotopic Mass
404.836 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
197.000
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
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