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Merck
CN

V800428

Toluene

AR, ≥99.5%

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
108-88-3
Molecular Weight:
92.14
EC Number:
203-625-9
UNSPSC Code:
12191501
PubChem Substance ID:
329829406
Beilstein/REAXYS Number:
635760
MDL number:
MFCD00008512
Assay:
≥99.5%
Grade:
AR
Bp:
110-111 °C (lit.)
Vapor pressure:
22 mmHg ( 20 °C), 26 mmHg ( 25 °C)

Key Documents

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InChI key

YXFVVABEGXRONW-UHFFFAOYSA-N

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

SMILES string

Cc1ccccc1

grade

AR

vapor density

3.2 (vs air)

vapor pressure

22 mmHg ( 20 °C), 26 mmHg ( 25 °C)

product line

Vetec™

assay

≥99.5%

form

liquid

autoignition temp.

997 °F

expl. lim.

7 %

dilution

(for analytical testing)

color

colorless

refractive index

n/D 1.496 (lit.)

bp

110-111 °C (lit.)

mp

-93 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

39.9 °F - closed cup

flash_point_c

4.4 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC4847V
MMBB4408
MMBB5000
MMBB4705
MMBB4730

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Ting Lei et al.
Small (Weinheim an der Bergstrasse, Germany), 11(24), 2946-2954 (2015-02-26)
Low-bandgap diketopyrrolopyrrole (DPP)-based polymers are used for the selective dispersion of semiconducting single-walled carbon nanotubes (s-SWCNTs). Through rational molecular design to tune the polymer-SWCNT interactions, highly selective dispersions of s-SWCNTs with diameters mainly around 1.5 nm are achieved. The influences
Liang Guo et al.
Journal of chromatography. A, 1286, 9-15 (2013-03-19)
For the first time, a novel one-step sample preparation method that combines microwave assisted extraction and solvent bar microextraction (MAE-SBME) with analysis by gas chromatography-mass spectrometry (GC-MS), was developed for the fast and efficient determination of polycyclic aromatic hydrocarbons (PAHs)
Elke Persch et al.
ChemMedChem, 9(8), 1880-1891 (2014-05-03)
The causative agents of the parasitic disease human African trypanosomiasis belong to the family of trypanosomatids. These parasitic protozoa exhibit a unique thiol redox metabolism that is based on the flavoenzyme trypanothione reductase (TR). TR was identified as a potential
Murat Yücel et al.
Neuroscience and biobehavioral reviews, 32(5), 910-926 (2008-05-06)
Organic solvent abuse is associated with increased risk for serious medical, neurological, and neuropsychological impairments. While animal research suggests that exposure to organic solvents (especially toluene) may be neurotoxic, much less is known about the consequences of long-term exposure in
Marina Shalaeva et al.
Journal of medicinal chemistry, 56(12), 4870-4879 (2013-05-29)
This study demonstrates that ΔlogP(oct-tol) (difference between logP(octanol) and logP(toluene)) describes compounds propensity to form intramolecular hydrogen bonds (IMHB) and may be considered a privileged molecular descriptor for use in drug discovery and for prediction of IMHB in drug candidates.
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