2-Methyl-4-nitropyridine - CAS 13508-96-8

Catalog:	BB008076
Product Name:	2-Methyl-4-nitropyridine
CAS:	13508-96-8
Synonyms:	2-methyl-4-nitropyridine; 2-methyl-4-nitropyridine

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Computed Properties

IUPAC Name:	2-methyl-4-nitropyridine
Description:	2-Methyl-4-nitropyridine (CAS# 13508-96-8) is a compound useful in organic synthesis.
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	CC1=NC=CC(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C6H6N2O2/c1-5-4-6(8(9)10)2-3-7-5/h2-4H,1H3
InChI Key:	HWPIDHRDNNZJSY-UHFFFAOYSA-N
Boiling Point:	241.5 °C at 760 mmHg
Density:	1.246 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD03095077
LogP:	1.82140

Publication Number	Title	Priority Date
CN-110683983-A	Preparation method of 2-methyl-4-bromopyridine	20191126
WO-2020098710-A1	Substituted bis-aryl amide compound and preparation method and application therefor	20181115
CN-109503518-B	Substituted biaryl amide compound and preparation method and application thereof	20181115
US-2021289794-A1	Compositions and related methods for agriculture	20180725
CN-109748854-A	A kind of preparation method of 2- methyl -4- bromopyridine	20171107

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9