1-(2-Nitrophenyl)ethanol - CAS 3205-25-2

Catalog:	BB021145
Product Name:	1-(2-Nitrophenyl)ethanol
CAS:	3205-25-2
Synonyms:	1-(2-nitrophenyl)ethanol; 1-(2-nitrophenyl)ethanol

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Computed Properties

IUPAC Name:	1-(2-nitrophenyl)ethanol
Description:	1-(2-Nitrophenyl)ethanol (CAS# 3205-25-2) is a compound useful in organic synthesis.
Molecular Weight:	167.16
Molecular Formula:	C8H9NO3
Canonical SMILES:	CC(C1=CC=CC=C1[N+](=O)[O-])O
InChI:	InChI=1S/C8H9NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6,10H,1H3
InChI Key:	DSDBYQDNNWCLHL-UHFFFAOYSA-N
Boiling Point:	319 °C at 760 mmHg
Density:	1.263 g/cm³
MDL:	MFCD02683380
LogP:	2.17130

Publication Number	Title	Priority Date
CN-112661691-A	O-nitroacetophenol derivative and preparation method and application thereof	20201231
WO-2021155288-A1	Fibroblast activation protein (fap) - targeted antifibrotic therapy	20200131
WO-2021155292-A1	Fibroblast activation protein (fap) - targeted antifibrotic therapy	20200131
WO-2021086982-A2	Compounds for the identification of microbial classes and uses thereof	20191028
CN-110835361-A	Sialic acid glycosyl donor and preparation method and application thereof	20191021

PMID	Publication Date	Title	Journal
17629516	20070701	Spatial and temporal dynamics of T cell receptor signaling with a photoactivatable agonist	Immunity
16520868	20060301	A simple procedure for the photoregulation of chymotrypsin activity	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
15616689	20050101	Photochemical reaction mechanisms of 2-nitrobenzyl compounds: 2-nitrobenzyl alcohols form 2-nitroso hydrates by dual proton transfer	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

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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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.058243149
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.058243149
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5