2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
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![2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a01cfa4014b64b89befb20ea55e0499a.png "2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine")
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
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CAS No:
1060815-90-8
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Formula:
C6H3ClIN3
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Chemical Name:
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
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Synonyms:
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;SCHEMBL12120921;CTK4A4350;DTXSID70680570;ANW-51745;ZINC44682209;AKOS015850518;CS-W006050;DS-0775;QC-3734
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CAS No:
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine Basic Attributes
279.46559
278.906006
DTXSID70680570
2933990090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine Use and Manufacturing
N-lodosuccinimide (742 g, 3.30 mol) was added to 2-chloro-7H-pyrrolo[2, 3-c/]pyrimidine (482.5 g, 3.14 mol) in acetonitrile (2500 mL) at 12°C. The mixture was stirred at room temperature for 1 hour then sodium metabisulphite (650 g in 4500 mL of water) was added. The mixture was stirred for 1 hour then filtered to afford the title compound as a orange solid in 82percent yield, 716.2 g.
Computed Properties
Molecular Weight:279.46
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:278.90602
Monoisotopic Mass:278.90602
Topological Polar Surface Area:41.6
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
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