5-Pyrimidinecarboxylic acid
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5-Pyrimidinecarboxylic acid
structure -
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CAS No:
4595-61-3
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Formula:
C5H4N2O2
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Chemical Name:
5-Pyrimidinecarboxylic acid
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Synonyms:
5-Pyrimidinecarboxylic acid;5-Carboxypyrimidine;Pyrimidine-5-carboxylic acid
- Categories:
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CAS No:
Safety Information
NONH for all modes of transport
3
36/37/38-36
22-26-36/37/39
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Pyrimidinecarboxylic acid Use and Manufacturing
Pyrimidine-5-carboxylic acid 19.50 ml (149 mmol) ethyl pyrimidine-5-carboxylate are shaken in 40 ml of 4 molar sodium hydroxide solution for 0.1 hours at ambient temperature, then 40 ml of 4 molar hydrochloric acid solution are added. The precipitate formed is suction filtered, washed with petroleum ether and dried. Yield: 14.80 g (80percent of theoretical)cyclohexylcarboxylic acids represented bycyclohexylcarboxylic acid, 5-pyridinecarboxylic acid, 2-pyridinecarboxylic acid,
Computed Properties
Molecular Weight:124.10
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:124.027277375
Monoisotopic Mass:124.027277375
Topological Polar Surface Area:63.1
Heavy Atom Count:9
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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