4-Methoxy-3-nitropyridine Hydrochloride - CAS 31872-61-4

Catalog:	BB021077
Product Name:	4-Methoxy-3-nitropyridine Hydrochloride
CAS:	31872-61-4
Synonyms:	4-methoxy-3-nitropyridine;hydrochloride; 4-methoxy-3-nitropyridine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-3-nitropyridine;hydrochloride
Description:	4-Methoxy-3-nitropyridine Hydrochloride (CAS# 31872-61-4) is a useful research chemical.
Molecular Weight:	190.58
Molecular Formula:	C6H7ClN2O3
Canonical SMILES:	COC1=C(C=NC=C1)[N+](=O)[O-].Cl
InChI:	InChI=1S/C6H6N2O3.ClH/c1-11-6-2-3-7-4-5(6)8(9)10;/h2-4H,1H3;1H
InChI Key:	RRJVDMBZMAGZGE-UHFFFAOYSA-N
Boiling Point:	275.9 °C at 760 mmHg
Density:	1.3 g/cm³
Appearance:	Powder
MDL:	MFCD00051995
LogP:	2.32360

Publication Number	Title	Priority Date
EP-1828180-A1	1h-pyrrolo[2,3-beta]pyridines	20041208
JP-2008523085-A	1H-pyrrolo [2,3-B] pyridine	20041208
JP-4954086-B2	1H-pyrrolo [2,3-B] pyridine	20041208
US-2009233955-A1	1H-Pyrrolo[2,3-B]Pyridnes	20041208
US-2012238588-A1	1H-Pyrrolo[2,3-B]Pyridines	20041208

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.0145198
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.0145198
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0