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Merck

175919

m-Xylene-d10

98 atom % D

Synonym(s):

1,3-Dimethylbenzene-d10

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About This Item

Linear Formula:
C6D4(CD3)2
CAS Number:
116601-58-2
Molecular Weight:
116.23
NACRES:
NA.21
PubChem Substance ID:
24850538
UNSPSC Code:
12142201
MDL number:
MFCD00209804
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+10
Form:
liquid

Key Documents

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isotopic purity

98 atom % D

Quality Level

100

assay

99% (CP)

form

liquid

technique(s)

GC/MS: suitable, NMR: suitable

impurities

≤0.001% water
water

refractive index

n20/D 1.497 (lit.)

bp

138-139 °C (lit.)

density

0.95 g/mL at 25 °C (lit.)

mass shift

M+10

SMILES string

[2H]c1c([2H])c(c([2H])c(c1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D

InChI key

IVSZLXZYQVIEFR-ZGYYUIRESA-N

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General description

m-Xylene-d10 is a deuterated derivative of m-xylene. It has an isotopic purity of 99atom%D. The rotational spectra (range of 6 and 26.5GHz) and rotational constants of m-xylene and m-xylene-d10 have been evaluated by pulsed beam Fourier transform microwave spectroscopy.

signalword

Danger

Hazard Classifications

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

target_organs

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
MKBF7806
IM1035
05820DC
08303HU
TD0594

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The Microwave Spectra of m-Xylene and m-Xylene-d10. Determination of the Low Methyl Internal Rotation Barrier.
Thomsen C and Dreizler H.
Zeitschrift fur Naturforschung, A, 56(9-10), 635-640 (2001)
F Aladar Bencsath et al.
Analytical and bioanalytical chemistry, 407(14), 4079-4090 (2015-03-23)
A headspace solid-phase microextraction gas chromatography-mass spectrometry (SPME GC-MS) method is described, to screen seafood for volatile organic compounds (VOCs) associated with petrochemical taint. VOCs are extracted from the headspace of heated sample homogenates by adsorption onto a SPME fiber

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