2-Amino-4-nitrobenzyl Alcohol - CAS 78468-34-5

Catalog:	BB036173
Product Name:	2-Amino-4-nitrobenzyl Alcohol
CAS:	78468-34-5
Synonyms:	(2-amino-4-nitrophenyl)methanol; (2-amino-4-nitrophenyl)methanol

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Computed Properties

IUPAC Name:	(2-amino-4-nitrophenyl)methanol
Description:	2-Amino-4-nitrobenzyl Alcohol (CAS# 78468-34-5) is a useful research chemical and a synthesis intermediate.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])N)CO
InChI:	InChI=1S/C7H8N2O3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4,8H2
InChI Key:	NFOINKSCQYECSI-UHFFFAOYSA-N
Boiling Point:	424.1 °C at 760 mmHg
Density:	1.432 g/cm³
MDL:	MFCD01664410
LogP:	1.77370

Publication Number	Title	Priority Date
WO-2020135507-A1	Polysubstituted anilinopyrimidine derivative and preparation method and application thereof	20181226
JP-2019204071-A	Liquid crystal aligning agent for photo-alignment, liquid crystal alignment film, liquid crystal display device using the same, diamine and polymer	20171031
KR-20190049560-A	Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using the same, and diamine and polymer	20171031
TW-201918507-A	Liquid alignment alignment agent for liquid alignment, liquid crystal alignment film and application thereof, and azobenzene derivatives, diamines and polymers	20171031
US-2019127643-A1	Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer	20171031

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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:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	1
Topological Polar Surface Area:	92.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2