2-Methoxy-5-nitroaniline Monohydrochloride - CAS 67827-72-9

Catalog:	BB033407
Product Name:	2-Methoxy-5-nitroaniline Monohydrochloride
CAS:	67827-72-9
Synonyms:	2-methoxy-5-nitroaniline;hydrochloride; 2-methoxy-5-nitroaniline;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2-methoxy-5-nitroaniline;hydrochloride
Description:	2-Methoxy-5-nitroaniline Monohydrochloride (CAS# 67827-72-9) is a useful research chemical.
Molecular Weight:	204.61
Molecular Formula:	C7H9ClN2O3
Canonical SMILES:	COC1=C(C=C(C=C1)[N+](=O)[O-])N.Cl
InChI:	InChI=1S/C7H8N2O3.ClH/c1-12-7-3-2-5(9(10)11)4-6(7)8;/h2-4H,8H2,1H3;1H
InChI Key:	JBBNYKPRONOPHN-UHFFFAOYSA-N
Boiling Point:	351.8 ℃ at 760 mmHg
MDL:	MFCD00060197
LogP:	3.09200

Publication Number	Title	Priority Date
CN-111646903-A	Fully deuterated 2, 4-dinitroanisole and preparation method thereof	20200619
CN-111646903-B	Fully deuterated 2, 4-dinitroanisole and preparation method thereof	20200619
EP-3643714-A1	4,5-disubstituted-1-hydro-pyrrole(2,3-f)quinolone-2,7,9-tricarboxylate compound and applications	20170511
US-2020071319-A1	4,5-disubstituted-1h-pyrrolo(2,3-f)quinolin-2,7,9-tricarboxylate compound and use thereof	20170511
WO-2018205299-A1	4,5-disubstituted-1-hydro-pyrrole(2,3-f)quinolone-2,7,9-tricarboxylate compound and applications	20170511

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0301698
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	204.0301698
Rotatable Bond Count:	1
Topological Polar Surface Area:	81.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0