N-(o-Tolyl)hydroxylamine - CAS 611-22-3

Catalog:	BB056848
Product Name:	N-(o-Tolyl)hydroxylamine
CAS:	611-22-3
Synonyms:	N-Hydroxy-2-methylbenzenamine; 2-Methyl-N-hydroxyaniline;N-(2-Methylphenyl)hydroxylamine; N-(o-Methylphenyl)hydroxylamine;N-Hydroxy-2-methylaniline; N-Hydroxy-o-methylaniline; N-Hydroxy-o-toluidine

Technical Data

IUPAC Name:	N-(2-methylphenyl)hydroxylamine
Description:	N-(o-Tolyl)hydroxylamine is an intermediate in the synthesis of Pyrametostrobin (P847010), a novel fungicide. Also, it is derived from 1-Methyl-2-nitrobenzene (N572306), which is a toxic pollutant of the environment because of its large scale use in the production of explosives. It is a useful synthetic intermediate. It shows carcinogenic activity in rats.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	CC1=CC=CC=C1NO
InChI:	InChI=1S/C7H9NO/c1-6-4-2-3-5-7(6)8-9/h2-5,8-9H,1H3
InChI Key:	OMYXQGTUTCZGCI-UHFFFAOYSA-N
Solubility:	Dichloromethane; Ethyl Acetate
Appearance:	Orange - Red Oil
Storage:	-20°C Freezer
References:	Huang, C., et al. J. Sep., 40, 2335-2343 (2017).

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7