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Merck
CN

PHL89591

Caffeine

phyproof® Reference Substance

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

Empirical Formula (Hill Notation):
C8H10N4O2
CAS Number:
Molecular Weight:
194.19
EC Number:
200-362-1
UNSPSC Code:
41116107
NACRES:
NA.24
Beilstein/REAXYS Number:
17705
MDL number:
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grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥98.0% (HPLC)

manufacturer/tradename

PhytoLab

mp

234-236.5 °C (lit.)

application(s)

food and beverages

format

neat

SMILES string

CN1C(=O)N(C)c2ncn(C)c2C1=O

InChI

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

InChI key

RYYVLZVUVIJVGH-UHFFFAOYSA-N

Gene Information

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG


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pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

监管及禁止进口产品

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Global Trade Item Number

SKUGTIN
PHL89591-100MG04061835503261