CAS
4920-84-7 Purity
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4920-84-7 Purity
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8-Chloro Caffeine
CAS
4921-49-7
Catalog Number
ACM4921497
Category
Other Products
Molecular Weight
228.64
Molecular Formula
C8H9ClN4O2
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Specification
Synonyms
8-Chloro-3,7-dihydro-1,3,7-trimethyl-
IUPAC Name
8-chloro-1,3,7-trimethylpurine-2,6-dione
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
3
H-Bond Donor
0
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