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247642

Sigma-Aldrich

Xylenes

ACS reagent, ≥98.5% xylenes + ethylbenzene basis

Synonym(s):

Xylene mixture of isomers

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About This Item

Linear Formula:
C6H4(CH3)2
CAS Number:
1330-20-7
Molecular Weight:
106.17
MDL number:
MFCD00077264
UNSPSC Code:
12352002
PubChem Substance ID:
329752747
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

vapor density

3.7 (vs air)

vapor pressure

18 mmHg ( 37.7 °C)

Assay

≥98.5% xylenes + ethylbenzene basis

form

liquid

composition

C6H5CH2CH3, ≤25%

expl. lim.

7 %

impurities

H2SO4, passes test
≤0.003% S compounds
≤0.05% water

evapn. residue

≤0.002%

color

APHA: ≤10

refractive index

n20/D 1.497 (lit.)

bp

137-140 °C (lit.)

mp

-34 °C

density

0.86 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(C)cc1.Cc2cccc(C)c2.Cc3ccccc3C

InChI

1S/3C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*3-6H,1-2H3

InChI key

MVZVDAGWAAZJPE-UHFFFAOYSA-N

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General description

Xylenes is a mixture of isomeric ortho-,meta- and para- forms of xylene which is an aromatic hydrocarbon widelyused as a solvent in various chemical reactions.

Application

Xylenes can be used as a solvent:
  • In the tetraphosphine/palladium-catalyzed Suzuki cross-coupling with sterically hindered aryl halides and arylboronic acids to synthesize tri-ortho-substituted biaryl adducts.
  • For the N-alkylation of amines or ammonia with alcohols to synthesize N-alkyl amines.
  • To synthesize aromatic polyimides by reacting unsymmetric phosphinated diamines and dianhydrides via solution polymerization.

Packaging

poly-coated bottles available: product numbers 247642-1L-CB, 247642-4L-CB and 247642-4X4L-CB

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT RE 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Central nervous system,Liver,Kidney, hearing organs, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

77.0 °F - closed cup

Flash Point(C)

25 °C - closed cup

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Mirth G, et al.
J. Catal., 139(1), 24-33 (1993)
A study of nonrigid aromatic molecules by supersonic molecular jet spectroscopy. I. Toluene and the xylenes.
Breen PJ, et al.
J. Chem. Phys. , 87(4), 1917-1926 (1987)
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