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27600

Caffeine

Name: Caffeine
Brand: SIAL

purum, anhydrous, ≥99.0% (HPLC)

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

Linear Formula:

CH₃(CH₃)C₆H₄N₄O₂

CAS Number:

58-08-2

Molecular Weight:

194.19

EC Number:

200-362-1

UNSPSC Code:

12352210

PubChem Substance ID:

329753003

Beilstein/REAXYS Number:

17705

MDL number:

MFCD00005758

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Properties

grade

purum

assay

≥99.0% (HPLC)

mp

233-238 °C, 234-236.5 °C (lit.)

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

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142)

Description

Other Notes

Pharmacology and toxicology

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pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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