8-Chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitrous acid

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CAS
63906-67-2
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Purity
96%
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Catalog Number

ACM63906672

Product Name

8-Chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitrous acid

CAS

63906-67-2

Category

Heterocyclic Organic Compound

Synonyms

8-Chloro-7-hydroxycaffeine nitrite, CID64132, LS-149450, Theophylline, 8-chloro-7-hydroxymethyl-, nitrite (ester), Xanthine, 8-chloro-1,3-dimethyl-7-hydroxymethyl-, nitrite (ester), 63906-67-2

IUPAC Name

8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitrous acid

Molecular Weight

291.648 g/mol

Molecular Formula

C₈H₁₀ClN₅O₅

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CO.N(=O)O

InChI Key

XHRKBDQMDPKJMB-UHFFFAOYSA-N

Boiling Point

484.5ºC at 760 mmHg

Flash Point

246.8ºC

Exact Mass

291.03700

H-Bond Acceptor

H-Bond Donor

MSDS

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COA

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Spec Sheet

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