Key Documents

View All Documentation

C1778

Caffeine

Name: Caffeine
Brand: SIAL

Sigma Reference Standard, vial of 250 mg

Synonym(s):

1,3,7-Trimethylxanthine

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):

C₈H₁₀N₄O₂

CAS Number:

58-08-2

Molecular Weight:

194.19

NACRES:

NA.21

PubChem Substance ID:

24892436

eCl@ss:

34050301

UNSPSC Code:

12352210

EC Number:

200-362-1

MDL number:

MFCD00005758

Beilstein/REAXYS Number:

17705

Technical Service

Need help? Our team of experienced scientists is here for you.

Let Us Assist

Properties

Quality Segment

200

form

crystalline, powder

packaging

vial of 250 mg

mp

234-236.5 °C (lit.)

solubility

H₂O: soluble 18.7 g/L at 16 °C

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)
mouse ... Adora2b(11541)
rat ... Adora1(29290), Adora2a(25369)

Description

Packaging

Supplied in amber screw-cap vials

Still not finding the right product?

Explore all of our products under Caffeine

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