Product Code

TRC-C984680

CAS Number

5878-61-5

Product Format

Neat

Molecular Formula

C9 H11 N4 O2 Cl

Molecular Weight

242.66

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

7-(2-Chloroethyl)theophylline

CAS Number

5878-61-5

Molecular Formula

C9 H11 N4 O2 Cl

Molecular Weight

242.66

Accurate Mass

242.0571

SMILES

CN1C(=O)N(C)c2ncn(CCCl)c2C1=O

InChI

InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3

IUPAC

7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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7-(2-Chloroethyl)theophylline

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