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Merck

214736

Xylenes

reagent grade

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
NACRES:
NA.21
PubChem Substance ID:
329752157
UNSPSC Code:
12352002
EC Number:
215-535-7
MDL number:
MFCD00077264
Grade:
reagent grade
Assay:
≥75.0% (xylenes isomers)
Bp:
137-140 °C (lit.)
Vapor pressure:
18 mmHg ( 37.7 °C)

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Product Name

Xylenes, reagent grade

InChI key

MVZVDAGWAAZJPE-UHFFFAOYSA-N

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

SMILES string

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

grade

reagent grade

vapor density

3.7 (vs air)

vapor pressure

18 mmHg ( 37.7 °C)

assay

≥75.0% (xylenes isomers)

form

liquid

autoignition temp.

867 °F

expl. lim.

7 %

dilution

(for analytical testing)

impurities

≤25% ethylbenzene

refractive index

n20/D 1.497 (lit.)

bp

137-140 °C (lit.)

mp

-34 °C (lit.)

density

0.86 g/mL at 25 °C (lit.)

Quality Level

100

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Application

Xylenes may be employed in chloramphenicol acetyltransferase (CAT) assay to evaluate the CAT gene expression.

General description

Xylenes is the mixture of isomeric ortho-, meta- and para-forms of xylene. Its dispersed emission and time of flight mass spectra has been reported. Transitions from S1 ↔ S0 states have been found to be within the range of 100cm-1 and were reported to be arising due to the internal rotation of ring methyl groups. Time-resolvedin situ FTIR spectroscopic and gas chromatographic studies have been carried out to study its diffusion coefficients, adsorption rates and isomerization efficacy over HSZM-5 surfaces.

signalword

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 Inhalation - STOT SE 3

target_organs

Central nervous system,Liver,Kidney, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

77.0 °F - closed cup

flash_point_c

25 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP3028
SHBN2631
SHBN1623
SHBM9616
SHBM6537

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K J Li et al.
Proceedings of the National Academy of Sciences of the United States of America, 95(7), 3650-3654 (1998-05-09)
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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)
Transport and isomerization of xylenes over HZSM-5 zeolites.
Mirth G, et al.
J. Catal., 139(1), 24-33 (1993)
Anne-France le Rolle et al.
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