CAS NO not returning structures - ChemAxon Forum Archive

User 8688ffe688

26-04-2016 22:16:35

We are finding more and more cas nos. not recognized by JChem. See list below:

7368-78-7 4-bromo-2-methoxyphenol

1722-12-9 2-chloropyrimidine

2563-26-0 4,5-dibromobenzene-1,2-diol

97-62-1 Ethyl isobutyrate

3395-03-7 1,2-dimethoxy-4,5-dinitrobenzene

37942-01-1 5-bromo-2-methoxyphenol

3934-20-1 2,4-dichloropyrimidine

18162-48-6 Tert-butyldimethylsilyl chloride

7782-61-8 Iron(III) nitrate nonahydrate

2712-78-9 [bis(trifluoroacetoxy)iodo]benzene

122-31-6 1,1,3,3-tetraethoxypropane

98327-87-8 Rac-2,2’-Bis(diphenylphosphino)-1,1’-binaphthyl

3240-34-4 (diacetoxyiodo)benzene

161265-03-8 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene

1070-89-9 Sodium bis(trimethylsilyl)amide

931-03-3
1H-pyrrole-3-carboxylic acid

2703-17-5 Methyl
1H-pyrrole-3-carboxylate

78-82-0 Isobutyronitrile

7368-78-7 4-Bromo-2-methoxyphenol

ChemAxon e7b9408ca1

27-04-2016 08:32:18

Which version of Java are you using?

It seems there have been changes in the webservice resolving CAS numbers, and now Java 8 is required.

User 8688ffe688

16-05-2016 19:51:17

Updated to JDK 1.8.0_91 and this did not resolve the problem. I'll try upgrading to latest JChemBase.

User 8688ffe688

16-05-2016 19:58:22

Could the switch from http to https cause some problems here. See announcement from Cactus website.

The CACTUS web server has been migrated to a significantly reconfigured system on new hardware
(with a new IPv4 address). The HTTPS protocol has been enabled for all services.
HTTP has been permanently turned off on March 31st, 2016.
https:// requests will from now on be redirected to the corresponding https:// request.
If you encounter any bugs or behavior different from the old server, please let us know immediately.

User 8688ffe688

16-05-2016 20:50:20

Does not seem like an issue with JDK see error log:

SEVERE: Not allowed: mol
WARNING: Not caching mapping '75-64-9' -> '<!DOCTYPE HTML PUBLIC "-//IETF//DTD HTML 2.0//EN">
<html><head>
<title>301 Moved Permanently</title>
</head><body>
<h1>Moved Permanently</h1>
<p>The document has moved <a href="https://cactus.nci.nih.gov/chemical/structure/75-64-9/smiles">here</a>.</p>
<hr>
<address>Apache/2.2.15 (CentOS) Server at cactus.nci.nih.gov Port 80</address>
</body></html>'

Looks like JChem needs to update the service protocol from http to https.

ChemAxon e7b9408ca1

17-05-2016 13:45:07

Thank you for your investigations.

Are you using an older version of JChem? Recent versions follow this redirection, and the conversion works.

User 8688ffe688

17-05-2016 13:47:59

Yes, using older version of JChem. Glad to hear that the newer versions have this problem resolved. I will plan for an upgrade.