4-Iodo-N-methylaniline - CAS 60577-34-6

Catalog:	BB030740
Product Name:	4-Iodo-N-methylaniline
CAS:	60577-34-6
Synonyms:	4-iodo-N-methylaniline; 4-iodo-N-methylaniline

Technical Data

Patents

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Computed Properties

IUPAC Name:	4-iodo-N-methylaniline
Description:	4-Iodo-N-methylaniline (CAS# 60577-34-6) is useful in general efficient method for direct N-methylation of aromatic primary amines with methanol .
Molecular Weight:	233.05
Molecular Formula:	C7H8IN
Canonical SMILES:	CNC1=CC=C(C=C1)I
InChI:	InChI=1S/C7H8IN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChI Key:	IZVRDZGBMDYYQT-UHFFFAOYSA-N
Boiling Point:	261.1 °C at 760 mmHg
Density:	1.779 g/cm³
Appearance:	Dark liquid or low mp solid
MDL:	MFCD04037125
LogP:	2.40590

Publication Number	Title	Priority Date
CN-111517902-A	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof	20190201
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
CN-108774147-A	A kind of N- aryl carboxamides prepared as formylation reagent using bromo difluoro acetate ethyl ester	20180702
CN-108774147-B	N-aryl formamide prepared by taking bromodifluoroacetic acid ethyl ester as formylation reagent	20180702
AU-2018308649-A1	Compounds which specifically bind to CD38 for use in the treatment of neurodegenerative and inflammatory diseases	20170724

PMID	Publication Date	Title	Journal
15861389	20050805	Orientational isomerism and binding ability of nonsymmetrical guests encapsulated in a self-assembling heterodimeric capsule	Chemistry (Weinheim an der Bergstrasse, Germany)

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Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.97015
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.97015
Rotatable Bond Count:	1
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4