5614-53-9

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Basic information

Product Name: Theophylline Impurity 1
Synonyms: Theophylline Impurity 1;Doxofylline Impurity 2;2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl) acetaldehyde;Theophylline Impurity 2;Theophylline-7-acetaldehyde
CAS NO:5614-53-9
Molecular Formula: C₉H₁₀N₄O₃
Molecular Weight: 180.16402
EINECS: N/A
Product Categories: N/A
Mol File: 5614-53-9.mol
Article Data: 1

Chemical Properties

Melting Point: N/A
Boiling Point: 463.3±51.0 °C(Predicted)
Flash Point: N/A
Appearance: /
Density: 1.50±0.1 g/cm3(Predicted)
Refractive Index: N/A
Storage Temp.: -20°C Freezer, Under inert atmosphere
Solubility: DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
PKA: -0.07±0.70(Predicted)
CAS DataBase Reference: Theophylline Impurity 1(CAS DataBase Reference)
NIST Chemistry Reference: Theophylline Impurity 1(5614-53-9)
EPA Substance Registry System: Theophylline Impurity 1(5614-53-9)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 5614-53-9(Hazardous Substances Data)

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7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
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2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl) acetaldehyde
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7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
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Theophylline Impurity 2 (Doxofylline Impurity 2)
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5614-53-9 Usage

Uses

Theophylline-7-acetaldehyde is an impurity of Theophylline (T343850), a xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine. Small amounts occur in tea. Bronchodilator.

Check Digit Verification of cas no

The CAS Registry Mumber 5614-53-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,6,1 and 4 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5614-53:
(6*5)+(5*6)+(4*1)+(3*4)+(2*5)+(1*3)=89
89 % 10 = 9
So 5614-53-9 is a valid CAS Registry Number.

5614-53-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde

1.2 Other means of identification

Product number	-
Other names	7-theophyllineacetaldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5614-53-9 SDS

5614-53-9Upstream product

479-18-5 diprophylline

5614-53-9Downstream Products

5614-53-9Relevant articles and documents

-

Takemoto et al.

, p. 327 (1973)

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