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Key Documents

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30-3280

Sigma-Aldrich

Tolueno

JIS special grade, ≥99.5%

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About This Item

Fórmula lineal:
C6H5CH3
Número de CAS:
108-88-3
Peso molecular:
92.14
Beilstein/REAXYS Number:
635760
MDL number:
MFCD00008512
UNSPSC Code:
12352002
PubChem Substance ID:
329753465

grade

JIS special grade

vapor density

3.2 (vs air)

vapor pressure

22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

assay

≥99.5%

form

liquid

autoignition temp.

997 °F

expl. lim.

7 %

availability

available only in Japan

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.)

SMILES string

Cc1ccccc1

InChI

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

InChI key

YXFVVABEGXRONW-UHFFFAOYSA-N

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Categorías relacionadas

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_germany

WGK 3

flash_point_f

39.2 °F

flash_point_c

4 °C

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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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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)
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Frustrated Lewis pairs (FLPs) based on sterically encumbered anilines and the Lewis acid B(C6 F5 )3 were found to react with terminal alkynes effecting intermolecular hydroamination affording iminium alkynylborate species of the form [RPhNC(R')Me][R'CCB(C6 F5 )3 ]. In these cases
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Journal of neuropathology and experimental neurology, 63(1), 1-12 (2004-01-30)
In recent decades the organic solvent toluene (methylbenzene) has emerged as one of the best-studied neurotoxins. Long-term and intense exposure to toluene vapors in humans who abuse spray paint and related substances has led to the recognition that toluene has
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