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725625

Sigma-Aldrich

Caffeine-(trimethyl-d9)

99 atom % D, 98% (CP)

Synonym(s):

1,3,7-Trimethyl-d9-xanthine

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About This Item

Empirical Formula (Hill Notation):
C8D9HN4O2
Molecular Weight:
203.25
MDL number:
UNSPSC Code:
12352114
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

99 atom % D

Quality Level

Assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

234-236.5 °C (lit.)

mass shift

M+9

SMILES string

O=C(N(C([2H])([2H])[2H])C1=O)N(C2=C1N(C([2H])([2H])[2H])C=N2)C([2H])([2H])[2H]

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3,2D3,3D3

InChI key

RYYVLZVUVIJVGH-GQALSZNTSA-N

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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

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

725625-BULK:
725625-VAR:
725625-100MG:


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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