IFLAB-BBF2108-0155
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IFLAB-BBF2108-0155
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CAS No:
95470-42-1
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Formula:
C7H9BrN2O2
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Chemical Name:
IFLAB-BBF2108-0155
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Synonyms:
IFLAB-BB F2108-0155;2-BROMO-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;2-BROMO-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;2-Bromo-5-methyl-4H-imidazole-4-carboxylic acid ethyl ester;ethyl 2-broMo-5-Methyl-1H-iMidazole-4-carboxylate;Ethyl 2-broMo-5-Methyl-4H-iMidazole-4-carboxylate;Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate;1H-Imidazole-5-carboxylic acid,2-bromo-4-methyl-,ethyl ester
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CAS No:
Characteristics
54.98000
1.65730
1.576±0.06 g/cm3
152-153 °C
347.4±34.0 °C(Predicted)
114.235ºC
8.81±0.10
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.
Computed Properties
Molecular Weight:233.06
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:231.98474
Monoisotopic Mass:231.98474
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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