5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride
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5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride
structure -
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CAS No:
37441-29-5
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Formula:
C8H2Cl2I3NO2
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Chemical Name:
5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride
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Synonyms:
1,3-Benzenedicarbonyl dichloride,5-amino-2,4,6-triiodo-;5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride;5-Amino-2,4,6-triiodoisophthaloyl chloride;5-Amino-2,4,6-triiodoisophthaloyl dichloride;5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid dichloride;5-Aminotriiodoisophthaloyl dichloride;5-Amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride;87932-05-6
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CAS No:
5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride Basic Attributes
595.73
595.73
417-220-1
9OP12587AJ
DTXSID20190891
2921199090
Characteristics
60.2
3.21
slightly yellow powder
2.8±0.1 g/cm3
231°C(lit.)
566.9±50.0 °C at 760 mmHg
296.6±30.1 °C
1.795
Safety Information
9
3077
43-51/53
22-36/37-61
Xi,N
P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501
H317
|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride Use and Manufacturing
Using 5-amino-2, 4, 6-triiodo-1, 3-benzenedicarboxylic acid by thionyl chloride chlorination.
Used in the preparation of trimeric X-ray contrast agents.
Computed Properties
Molecular Weight:595.72
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:594.6597
Monoisotopic Mass:594.6597
Topological Polar Surface Area:60.2
Heavy Atom Count:16
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride
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