2-Nitropyrrole - CAS 5919-26-6

Catalog:	BB030295
Product Name:	2-Nitropyrrole
CAS:	5919-26-6
Synonyms:	2-nitro-1H-pyrrole; 2-nitro-1H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	2-nitro-1H-pyrrole
Description:	2-Nitropyrrole (CAS# 5919-26-6) is a useful research chemical.
Molecular Weight:	112.09
Molecular Formula:	C4H4N2O2
Canonical SMILES:	C1=CNC(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C4H4N2O2/c7-6(8)4-2-1-3-5-4/h1-3,5H
InChI Key:	FTBBGQKRYUTLMP-UHFFFAOYSA-N
Boiling Point:	267.9 °C at 760 mmHg
Density:	1.408 g/cm³
LogP:	1.44610

Publication Number	Title	Priority Date
CN-113461590-A	Method for constructing 1-substituted cyclopropane compound by virtue of phosphine-catalyzed C-H activated amination reaction of cyclopropane	20210615
KR-102291584-B1	Molecular diagnosis method for disease diagnosis of companion animals and livestock	20201125
US-2021299266-A1	Compositions and methods of treating muscle dystrophy	20200327
WO-2021195469-A1	Compositions and methods of treating muscle dystrophy	20200327
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324

PMID	Publication Date	Title	Journal
22817774	20120817	Biomimetic synthesis and proposal of relative and absolute stereochemistry of heronapyrrole C	Organic letters
21935564	20111107	Monitoring the site-specific incorporation of dual fluorophore-quencher base analogues for target DNA detection by an unnatural base pair system	Organic & biomolecular chemistry
21090803	20101227	Nitropyrrolins A-E, cytotoxic farnesyl-α-nitropyrroles from a marine-derived bacterium within the actinomycete family Streptomycetaceae	Journal of natural products
20939572	20101103	A new unnatural base pair system between fluorophore and quencher base analogues for nucleic acid-based imaging technology	Journal of the American Chemical Society
18776451	20080101	Sequences around the unnatural base pair in DNA templates for efficient replication	Nucleic acids symposium series (2004)

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1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	98.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.027277375
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.027277375
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9