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676756

Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
108-88-3
Molecular Weight:
92.14
Beilstein/REAXYS Number:
635760
EC Number:
203-625-9
MDL number:
MFCD00008512
UNSPSC Code:
12352002
PubChem Substance ID:
329760650
NACRES:
NA.21
Grade:
ACS reagent
Assay:
≥99.5%
Technique(s):
toxicology assay: suitable
Bp:
110-111 °C (lit.)
Vapor pressure:
22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

Key Documents

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grade

ACS reagent

Quality Level

200

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 %

technique(s)

toxicology assay: suitable

impurities

H2SO4, passes test (darkened)
≤0.003% S compounds
≤0.03% Water

evapn. residue

≤0.001%

refractive index

n/D 1.496 (lit.)

bp

110-111 °C (lit.)

mp

-93 °C (lit.)

solubility

acetone: miscible(lit.)
alcohol: miscible(lit.)
carbon disulfide: miscible(lit.)
chloroform: miscible(lit.)
glacial acetic acid: miscible(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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General description

Our premium ACS solvents are ideal for routine chemical synthesis, drying, purification, and critical labware cleaning. They meet or exceed the rigorous standards of the American Chemical Society (ACS), ensuring high-quality results for your research needs.

Premium ACS Solvents: Our solvents meet or exceed the stringent standards set by the American Chemical Society, ensuring high quality and reliability for your laboratory applications.

Replicable and Publishable Results: Designed for consistency, our solvents deliver results that can be reliably reproduced, making them ideal for research that requires publication.

Versatile Applications: Suitable for routine chemical synthesis, drying, purification, and critical labware cleaning, our solvents cater to a wide range of research needs in the laboratory.
Toluene, also known as methylbenzene, is a flammable liquid with a pungent odor. It is a constituent of crude oil. Toluene is widely used as a precursor for synthesizing benzene, a gasoline additive, and as a solvent in the paint industry. Its toxicological effects have been investigated. Alkylation of toluene to form p-xylene with high selectivity using modified ZSM (Zeolite Socony Mobil)-5-class zeolite catalysts has been reported. Electrical properties of graphene can be altered by doping it with toluene, which serves as an electron donor. Temperature programmed hydrogenation (TPH) of toluene in the gas phase in the presence of supported metal catalysts has been studied.

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

39.9 °F - closed cup

flash_point_c

4.4 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ0393
SHBL9433
SHBL3015
BCCB6551
BCBV5294

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Temperature programmed hydrogenation of toluene.
Slioor RI, et al.
Catalysis Letters, 121(1-2), 24-32 (2008)
Toluene.
von Burg R.
Journal of Applied Toxicology, 13(6), 441-446 (1993)
Electrochemical doping of graphene with toluene.
Kaverzin AA, et al.
Carbon, 49(12), 3829-3834 (2011)
Selective alkylation of toluene with methanol to produce para-xylene.
Kaeding WW, et al.
J. Catal., 67(1), 159-174 (1981)
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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