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Merck
CN

603295

Caffeine-13C3 solution

99 atom % 13C, 1 mg/mL in methanol, drug standard

Synonym(s):

Caffeine-trimethyl-13C3 solution

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About This Item

Empirical Formula (Hill Notation):
13C3C5H10N4O2
Molecular Weight:
197.17
NACRES:
NA.24
PubChem Substance ID:
329758876
UNSPSC Code:
41116107
EC Number:
200-659-6
MDL number:
MFCD00143899

Key Documents

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Quality Level

200

storage temp.

−20°C

InChI key

RYYVLZVUVIJVGH-VMIGTVKRSA-N

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

SMILES string

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

grade

drug standard

isotopic purity

99 atom % 13C

availability

not available in Japan

concentration

1 mg/mL in methanol

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

pharmaceutical (small molecule)

format

single component solution

Application

Caffeine-13C3 solution can be used as an internal standard for the analysis of contaminants of emerging concern (CECs)in the influent and effluent streams of wastewater treatment plants using liquid chromatographic technique coupled with high resolution mass spectrometry(LC-HRMS) and liquid chromatographic technique coupled with tandem mass spectrometry(LC-MS/MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

49.5 °F - closed cup

flash_point_c

9.7 °C - closed cup

Regulatory Information

监管及禁止进口产品
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Estimating removals of contaminants of emerging concern from wastewater treatment plants: The critical role of wastewater hydrodynamics
Baalbaki Z, et al.
Chemosphere, 178, 439-448 (2017)

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