2-Iodo-4-nitroanisole - CAS 5399-03-1

Name: 2-Iodo-4-nitroanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028444
Product Name:	2-Iodo-4-nitroanisole
CAS:	5399-03-1
Synonyms:	2-iodo-1-methoxy-4-nitrobenzene; 2-iodo-1-methoxy-4-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-iodo-1-methoxy-4-nitrobenzene
Description:	2-Iodo-4-nitroanisole (CAS# 5399-03-1) is a useful research chemical.
Molecular Weight:	279.03
Molecular Formula:	C7H6INO3
Canonical SMILES:	COC1=C(C=C(C=C1)[N+](=O)[O-])I
InChI:	InChI=1S/C7H6INO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChI Key:	KBQBNJHOTNIGDD-UHFFFAOYSA-N
Boiling Point:	343.3 °C at 760 mmHg
Density:	1.893 g/cm³
MDL:	MFCD00024328
LogP:	2.73120

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Related Functional Groups

Halides

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole

GHS Hazard Statement:	H400 (97.44%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021158707-A1	Methods and compounds for the treatment of genetic disease	20200203
AU-2017382830-A1	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of use thereof	20161219
CA-3045032-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof	20161219
EP-3555070-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof	20161219
JP-2020504715-A	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of using the same	20161219

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	278.93924
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	278.93924
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4