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Merck
모든 사진(1)

주요 문서

676756

Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
Molecular Weight:
92.14
Beilstein:
635760
EC Number:
MDL number:
UNSPSC 코드:
12352002
PubChem Substance ID:
NACRES:
NA.21
bp:
110-111 °C (lit.)
vapor pressure:
22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

Grade

ACS reagent

Quality Level

vapor density

3.2 (vs air)

vapor pressure

22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

분석

≥99.5%

양식

liquid

autoignition temp.

997 °F

expl. lim.

7 %

기술

toxicology assay: suitable

불순물

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

증발 잔류물

≤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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일반 설명

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.

픽토그램

FlameHealth hazardExclamation mark

신호어

Danger

유해 및 위험 성명서

Hazard Classifications

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

표적 기관

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

39.9 °F - closed cup

Flash Point (°C)

4.4 °C - closed cup


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Lot/Batch Number

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문서 라이브러리 방문

이미 열람한 고객

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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