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Merck
CN

655147

2,4,6-Trichloroanisole-d5

98 atom % D

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About This Item

Linear Formula:
Cl3C6D2OCD3
CAS Number:
352439-08-8
Molecular Weight:
216.50
NACRES:
NA.12
PubChem Substance ID:
329760069
UNSPSC Code:
41116107
MDL number:
MFCD01074305

Key Documents

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Product Name

2,4,6-Trichloroanisole-d5, 98 atom % D

InChI

1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3/i1D3,2D,3D

SMILES string

[2H]c1c(Cl)c([2H])c(Cl)c(OC([2H])([2H])[2H])c1Cl

InChI key

WCVOGSZTONGSQY-RHIBPKLGSA-N

isotopic purity

98 atom % D

bp

132 °C/28 mmHg (lit.)

mp

60-62 °C (lit.)

format

neat

mass shift

M+5

Quality Level

200

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Application

This product may be used as an analytical standard.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Exclamation mark
GHS07

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Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC8380
MBBC1943
ST0042

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Navideh Sadoughi et al.
Journal of agricultural and food chemistry, 63(11), 2877-2885 (2015-02-24)
An optimized method for the quantitation of volatile compounds responsible for off-aromas, such as earthy odors, found in wine and grapes was developed. The method involved a fast and simple headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) for simultaneous determination of

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