1 CHEM
FC-0008602

8-PHENYLTHEOPHYLLINE

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About This Item

Molecular FormulaC13H12N4O2
CAS Number961-45-5

FC-0008602

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Properties

Chemical Identifiers

IUPAC Name1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
SMILESCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3
InChI KeyPJFMAVHETLRJHJ-UHFFFAOYSA-N
InChIInChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)

Physical Properties

Boiling Point517.7ºC at 760mmHg
Melting Point>300ºC(lit.)
Flash Point266.9ºC
Density1.361g/cm3

Safety Information

Flash Point

266.9ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.