3-Fluoro-4-nitroanisole - CAS 446-38-8

Catalog:	BB025681
Product Name:	3-Fluoro-4-nitroanisole
CAS:	446-38-8
Synonyms:	2-fluoro-4-methoxy-1-nitrobenzene; 2-fluoro-4-methoxy-1-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-4-methoxy-1-nitrobenzene
Description:	3-Fluoro-4-nitroanisole (CAS# 446-38-8) is a useful research chemical.
Molecular Weight:	171.13
Molecular Formula:	C7H6FNO3
Canonical SMILES:	COC1=CC(=C(C=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C7H6FNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:	PLEJCMKVJYUUBA-UHFFFAOYSA-N
Boiling Point:	264.5 °C at 760 mmHg
Density:	1.321 g/cm³
MDL:	MFCD04115632
LogP:	2.26570

Publication Number	Title	Priority Date
CN-112480083-A	AZD9291 derivative containing alkynyl and preparation method and application thereof	20201106
CN-110950871-A	2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs	20191225
WO-2021061801-A1	Bicyclic inhibitors of cbx chromodomains	20190924
US-2021040115-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809
WO-2021029632-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

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GHS Hazard Statement:	H314 (92.68%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.03317122
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.03317122
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9