8-Chloro Caffeine

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Catalog Number

ACM4921497

Product Name

8-Chloro Caffeine

Structure

CAS

4921-49-7

Category

Heterocyclic Organic Compound

Synonyms

8-Chloro-3,7-dihydro-1,3,7-trimethyl-

IUPAC Name

8-chloro-1,3,7-trimethylpurine-2,6-dione

Molecular Weight

228.64

Molecular Formula

C8H9ClN4O2

Canonical SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI Key

HGKPGBJNNATDRR-UHFFFAOYSA-N

Boiling Point

425.4ºC at 760mmHg

Melting Point

190-192ºC

Flash Point

211.1ºC

Density

1.6g/cm³

Appearance

White Solid

EC Number

225-552-1

Exact Mass

228.04100

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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