2-CHLORO-5,6-DIMETHYL-NICOTINIC ACID
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2-CHLORO-5,6-DIMETHYL-NICOTINIC ACID
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CAS No:
120003-75-0
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Formula:
C8H8ClNO2
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Chemical Name:
2-CHLORO-5,6-DIMETHYL-NICOTINIC ACID
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Synonyms:
TIMTEC-BB SBB010728;2-CHLORO-5,6-DIMETHYL-NICOTINIC ACID;2-chloro-5,6-diMethylpyridin-3-carboxylic acid;2-Chloro-5,6-diMethyl-3-pyridinecarboxylic Acid;2-Chloro-5,6-dimethylpyridine-3-carboxylic acid;3-Pyridinecarboxylic acid,2-chloro-5,6-dimethyl-
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CAS No:
Characteristics
50.2
2.1
1.328±0.06 g/cm3(Predicted)
170-173°C
347.3±37.0 °C(Predicted)
-20°C Freezer
Safety Information
IRRITANT
Xi
|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-5,6-DIMETHYL-NICOTINIC ACID Use and Manufacturing
An intermediate in the preparation of Omeprazole metabolites.
Computed Properties
Molecular Weight:185.61
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:185.0243562
Monoisotopic Mass:185.0243562
Topological Polar Surface Area:50.2
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-CHLORO-5,6-DIMETHYL-NICOTINIC ACID
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