Skip to Content
Merck

Key Documents

View All Documentation

C1778

Caffeine

Sigma Reference Standard, vial of 250 mg

Synonym(s):

1,3,7-Trimethylxanthine

Sign In to View Organizational & Contract Pricing.

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

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)

Packaging

Supplied in amber screw-cap vials

Still not finding the right product?

Explore all of our products under Caffeine

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library