3-Methoxy-4-nitrobenzyl alcohol - CAS 80866-88-2

Catalog:	BB036569
Product Name:	3-Methoxy-4-nitrobenzyl alcohol
CAS:	80866-88-2
Synonyms:	(3-methoxy-4-nitrophenyl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-methoxy-4-nitrophenyl)methanol
Description:	3-Methoxy-4-nitrobenzyl alcohol (CAS# 80866-88-2) is a useful research chemical.
Molecular Weight:	183.16
Molecular Formula:	C8H9NO4
Canonical SMILES:	COC1=C(C=CC(=C1)CO)[N+](=O)[O-]
InChI:	InChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
InChI Key:	AADYWCBPJZAJNU-UHFFFAOYSA-N
Boiling Point:	367.3 °C at 760 mmHg
Density:	1.316 g/cm³
LogP:	1.61890

Publication Number	Title	Priority Date
WO-2021154207-A1	Inkjet compositions	20200128
WO-2021127743-A1	Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof	20191223
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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]
Z-Glycinol
[108100-06-7]
(S)-1-(2-Methoxyphenyl)ethanol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[4780-79-4]
1-Naphthalenemethanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[6712-35-2]
2-Phenyl-4-pentyn-2-ol

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[610-78-6]
4-Chloro-3-nitrophenol
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.05315777
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	75.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8