1-Methyl-1H-imidazole-4,5-dicarboxylic acid
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1-Methyl-1H-imidazole-4,5-dicarboxylic acid
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CAS No:
19485-38-2
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Formula:
C6H6N2O4
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Chemical Name:
1-Methyl-1H-imidazole-4,5-dicarboxylic acid
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Synonyms:
1H-Imidazole-4,5-dicarboxylic acid,1-methyl-;Imidazole-4,5-dicarboxylic acid,1-methyl-;1-Methyl-1H-imidazole-4,5-dicarboxylic acid;1-Methylimidazole-4,5-dicarboxylic acid;1-Methyl-4,5-dicarboxyimidazole;IEM 1573;4,5-Dicarboxy-N-methylimidazole;1-Methy-4,5-imidazoledicarboxylic acid
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CAS No:
Characteristics
92.4
-0.3
1.63±0.1 g/cm3(Predicted)
262-263 °C
531.6±35.0 °C(Predicted)
275.3ºC
3.92E-12mmHg at 25°C
Safety Information
IRRITANT
36/37/38
26-36/37/39
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.12
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:170.03275668
Monoisotopic Mass:170.03275668
Topological Polar Surface Area:92.4
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Methyl-1H-imidazole-4,5-dicarboxylic acid
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