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N0875

Sigma-Aldrich

1-Naphthol

≥98%

Synonym(s):

α-Naphthol, 1-Hydroxynaphthalene

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About This Item

Linear Formula:
C10H7OH
CAS Number:
90-15-3
Molecular Weight:
144.17
Beilstein/REAXYS Number:
1817321
EC Number:
201-969-4
MDL number:
MFCD00003930
UNSPSC Code:
12352100

vapor density

4.5 (120 °C, vs air)

vapor pressure

1 mmHg ( 94 °C)

assay

≥98%

autoignition temp.

1007 °F

expl. lim.

5 %

IVD

for in vitro diagnostic use

color

pink to brown

bp

278-280 °C (lit.)

mp

94-96 °C (lit.)

SMILES string

Oc1cccc2ccccc12

InChI

1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

InChI key

KJCVRFUGPWSIIH-UHFFFAOYSA-N

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signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 3 - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1A - STOT SE 2 Oral - STOT SE 3

target_organs

Kidney, Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

257.0 °F - closed cup

flash_point_c

125 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
085K0672
121K0117
095H0934
092H0566
070K0916

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Keith L Constantine et al.
Journal of medicinal chemistry, 51(19), 6225-6229 (2008-09-06)
Fragment-like inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK2) include 5-hydroxyisoquinoline (IC50 approximately 85 microM). Modeling studies identified four possible binding modes for this compound. Two-dimensional (1)H-(1)H NOESY data obtained with selectively protonated samples of MK2 in complex with
David Kokel et al.
Nature chemical biology, 2(6), 338-345 (2006-05-16)
Naphthalene (1) and para-dichlorobenzene (PDCB, 2), which are widely used as moth repellents and air fresheners, cause cancer in rodents and are potential human carcinogens. However, their mechanisms of action remain unclear. Here we describe a novel method for delivering
Claire Tacon et al.
Bioorganic & medicinal chemistry, 20(2), 893-902 (2011-12-27)
Herein we report on the semisynthesis and biological evaluation of β-amino alcohol derivatives of the natural product totarol and other simple aromatic systems. All β-amino alcohol derivatives of totarol exhibited higher antiplasmodial activity than totarol [IC(50): 11.69 μM (K1, chloroquine
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the
Kunal Roy et al.
European journal of medicinal chemistry, 44(5), 1941-1951 (2008-12-27)
A series of naphthalene and non-naphthalene derivatives (n=42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and thermodynamic descriptors to
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