2-Methyl-4-nitrophenol - CAS 99-53-6

Name: 2-Methyl-4-nitrophenol
Brand: BOC Sciences
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Catalog:	BB042303
Product Name:	2-Methyl-4-nitrophenol
CAS:	99-53-6
Synonyms:	2-methyl-4-nitrophenol

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Computed Properties

IUPAC Name:	2-methyl-4-nitrophenol
Description:	2-Methyl-4-nitrophenol (CAS# 99-53-6) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	CC1=C(C=CC(=C1)[N+](=O)[O-])O
InChI:	InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3
InChI Key:	KDQPMQNHVQVVMR-UHFFFAOYSA-N
Boiling Point:	311 °C at 760 mmHg
Density:	1.32 g/cm³
LogP:	2.13200

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Related Functional Groups

Oxygen Compounds

[134769-80-5]C11H16O2
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[1006443-01-1]C9H6N4O4
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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

Publication Number	Title	Priority Date
CN-112898298-A	Preparation method of tocaintinib intermediate	20210126
CN-111689864-A	Method for synthesizing 5-nitro salicylaldehyde	20200628
JP-6907424-B1	Diamine compounds, polymers, liquid crystal alignment agents, liquid crystal alignment films, and liquid crystal display elements, and methods for producing liquid crystal alignment films, methods for producing diamine compounds, methods for producing dinitro compounds and dinitro compounds, and protected diamino compounds.	20200525
WO-2021198709-A1	Naphthyridine compounds as inhibitors of mer tyrosine kinase and axl tyrosine kinase	20200403
JP-2021128253-A	Image forming device and image forming method	20200213

PMID	Publication Date	Title	Journal
21422738	20110101	Studies on sea snake venom	Proceedings of the Japan Academy. Series B, Physical and biological sciences
20518471	20100701	Measurement of nitrophenols in rain and air by two-dimensional liquid chromatography-chemically active liquid core waveguide spectrometry	Analytical chemistry
21583226	20090523	2-Methyl-4-nitro-phenol	Acta crystallographica. Section E, Structure reports online
18811172	20081016	2-Hydroxy-5-nitrobenzyl as a diazeniumdiolate protecting group: application in NO-releasing polymers with enhanced biocompatibility	Organic letters
18437438	20080601	Improvement of an efficient separation method for chemicals in diesel exhaust particles: analysis for nitrophenols	Environmental science and pollution research international

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	0
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2