2,6-Dichloro-4-nitropyridine N-oxide - CAS 2587-01-1

Name: 2,6-Dichloro-4-nitropyridine N-oxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019056
Product Name:	2,6-Dichloro-4-nitropyridine N-oxide
CAS:	2587-01-1
Synonyms:	2,6-dichloro-4-nitro-1-oxidopyridin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	2,6-dichloro-4-nitro-1-oxidopyridin-1-ium
Description:	2,6-Dichloro-4-nitropyridine N-oxide (CAS# 2587-01-1) is a compound useful in organic synthesis.
Molecular Weight:	208.99
Molecular Formula:	C5H2Cl2N2O3
Canonical SMILES:	C1=C(C=C([N+](=C1Cl)[O-])Cl)[N+](=O)[O-]
InChI:	InChI=1S/C5H2Cl2N2O3/c6-4-1-3(9(11)12)2-5(7)8(4)10/h1-2H
InChI Key:	LWOLKOLHQCMQDE-UHFFFAOYSA-N
Boiling Point:	415.6 °C at 760 mmHg
Density:	1.79 g/cm³
Appearance:	Yellow powder
MDL:	MFCD00955611
LogP:	2.85330

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Related Functional Groups

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016230010-A1	Nonlinear optical dye, photorefractive material composition, photorefractive substrate and hologram recording medium	20131025
US-9902858-B2	Nonlinear optical dye, photorefractive material composition, photorefractive substrate and hologram recording medium	20131025
AU-654372-B2	Cyclic imino derivatives	19910819
CA-2076311-A1	Cyclic imino derivatives, pharmaceutical compositions containing these compounds and processes for preparing them	19910819
DE-4127404-A1	CYCLIC IMINODERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF	19910819

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9442473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.9442473
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6