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Merck
CN

52463

Phenol

PESTANAL®, analytical standard

Synonym(s):

Hydroxybenzene

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About This Item

Linear Formula:
C6H5OH
CAS Number:
108-95-2
Molecular Weight:
94.11
EC Number:
203-632-7
UNSPSC Code:
41116107
PubChem Substance ID:
24874429
Beilstein/REAXYS Number:
969616
MDL number:
MFCD00002143
eCl@ss:
39023301

Key Documents

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grade

analytical standard

vapor density

3.24 (vs air)

vapor pressure

0.09 psi ( 55 °C), 0.36 mmHg ( 20 °C)

product line

PESTANAL®

assay

≥99.7% (GC)

autoignition temp.

1319 °F

shelf life

limited shelf life, expiry date on the label

contains

~0.15% hypophosphorous acid as stabilizer

expl. lim.

8.6 %

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

182 °C (lit.)

mp

39-42 °C, 40-42 °C (lit.)

density

1.071 g/mL at 25 °C (lit.)

application(s)

environmental

SMILES string

Oc1ccccc1

InChI

1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

InChI key

ISWSIDIOOBJBQZ-UHFFFAOYSA-N

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Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Muta. 2 - Skin Corr. 1B - STOT RE 2

target_organs

Nervous system,Kidney,Liver,Skin

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

flash_point_f

174.2 °F - closed cup

flash_point_c

79.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Alessio Innocenti et al.
Bioorganic & medicinal chemistry letters, 20(17), 5050-5053 (2010-08-03)
A series of polyphenolic derivatives, including resveratrol, dobutamine, curcumin, catechin and silymarine were investigated for the inhibition of all the catalytically active mammalian isozymes of the metalloprotein carbonic anhydrase (CA, EC 4.2.1.1), that is, CA I-CA XV. These polyphenols effectively
Zhi-Ling Guo et al.
Brain research, 1229, 125-136 (2008-07-29)
The midline medulla oblongata, which includes the nucleus raphe obscurus, raphe magnus and raphe pallidus (NRP), is involved in regulation of cardiovascular responses. Opioids and serotonin (5-HT) are thought to function as important neurotransmitters in this region. We previously have
Shinya Nagashima et al.
Bioorganic & medicinal chemistry, 16(13), 6509-6521 (2008-06-07)
Signal transducers and activators of transcription 6 (STAT6) is a key regulator of the type 2 helper T (Th2) cell immune response and a potential therapeutic target for allergic diseases such as asthma and atopic diseases. To search for potent
Rohan A Davis et al.
Journal of medicinal chemistry, 54(6), 1682-1692 (2011-02-22)
In order to discover novel probes that may help in the investigation and control of infectious diseases through a new mechanism of action, we have evaluated a library of phenol-based natural products (NPs) for enzyme inhibition against four recently characterized
Marie A Colucci et al.
Journal of medicinal chemistry, 50(23), 5780-5789 (2007-10-20)
NAD(P)H:quinone oxidoreductase 1 is a proposed target in pancreatic cancer. We describe the synthesis of a series of indolequinones, based on the 5- and 6-methoxy-1,2-dimethylindole-4,7-dione chromophores with a range of phenolic leaving groups at the (indol-3-yl)methyl position. The ability of
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