5,6-Dichloronicotinic acid
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5,6-Dichloronicotinic acid
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CAS No:
41667-95-2
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Formula:
C6H3Cl2NO2
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Chemical Name:
5,6-Dichloronicotinic acid
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Synonyms:
3-Pyridinecarboxylic acid,5,6-dichloro-;Nicotinic acid,5,6-dichloro-;5,6-Dichloro-3-pyridinecarboxylic acid;5,6-Dichloronicotinic acid;5,6-Dichloropyridine-3-carboxylic acid;NSC 63885;2,3-Dichloropyridine-5-carboxylic acid;789475-38-3
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CAS No:
Characteristics
50.2
2
White to beige to tan Powder
1.6±0.1 g/cm3
>300 °C (decomp)
342.1°C at 760 mmHg
160.7±26.5 °C
1.606
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25-36-26
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 62 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5,6-Dichloronicotinic acid Use and Manufacturing
A mixture of ethyl 5, 6-dichloronicotinate (1.0 g, 4.5 mmol) and aqueous NaOH (2 N, 6.75 mL, 13.5 mmol) in a mixed solvents of THF/MeOH/water (50 mL, 4/1/1) was stirred at room temperature for 0.5 h.
Computed Properties
Molecular Weight:192.00
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:190.9540837
Monoisotopic Mass:190.9540837
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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