2-Bromo-6-nitroanisole - CAS 98775-19-0

Catalog:	BB042215
Product Name:	2-Bromo-6-nitroanisole
CAS:	98775-19-0
Synonyms:	1-bromo-2-methoxy-3-nitrobenzene; 1-bromo-2-methoxy-3-nitrobenzene

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Computed Properties

IUPAC Name:	1-bromo-2-methoxy-3-nitrobenzene
Description:	2-Bromo-6-nitroanisole (CAS# 98775-19-0) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC1=C(C=CC=C1Br)[N+](=O)[O-]
InChI:	InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChI Key:	YAYBLVOBUIXMQY-UHFFFAOYSA-N
Boiling Point:	296.418 °C at 760 mmHg
Density:	1.64 g/cm³
LogP:	2.88910

Publication Number	Title	Priority Date
WO-2021001044-A1	Process for the preparation of key intermediates for the synthesis of eltrombopag or salt thereof	20190704
CN-113227071-A	Amide-substituted heterocyclic compounds for the treatment of disorders associated with the modulation of IL-12, IL-23 and/or IFN-alpha	20181030
KR-20210086674-A	Amide-substituted heterocyclic compounds for the treatment of conditions associated with modulation of IL-12, IL-23 and/or IFN-alpha	20181030
CN-110467531-A	A kind of preparation method of 3 '-nitros -2 '-xenol -3- formic acid	20180509
KR-102054069-B1	Hetero cyclic compound and organic light emitting device comprising the same	20170427

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[2006278-12-0]
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[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4