2,4-Dichloro-5-pyrimidinecarboxylic acid
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2,4-Dichloro-5-pyrimidinecarboxylic acid
structure -
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CAS No:
37131-89-8
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Formula:
C5H2Cl2N2O2
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Chemical Name:
2,4-Dichloro-5-pyrimidinecarboxylic acid
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Synonyms:
5-Pyrimidinecarboxylic acid,2,4-dichloro-;2,4-Dichloro-5-pyrimidinecarboxylic acid
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CAS No:
Safety Information
IRRITANT-HARMFUL
NONH for all modes of transport
3
22
Xn
P264, P270, P301+P312, P330, P501
H302
2,4-Dichloro-5-pyrimidinecarboxylic acid Use and Manufacturing
To 10.0 g (64.06 mmol) of uracil-5-carboxylic acid (Aldrich Chemical Company) partially dissolved in 20 mL of DMF are added, under cold conditions, 59.7 mL (0.64 mol) of phosphorus oxychloride and 10.3 mL (64.7 mmol) of N, N-diethylaniline, and the mixture is then heated at 90° C. for 2 hours 40 minutes.To a solution of 9 g (42.8 mmol) of 2, 4-dichloro-5-pyrimidinecarboxylic acid chloride (Manchester Organics Limited) in 60 mL of ether are added 10 mL of water and the reaction mixture is stirred vigorously at 35° C. for 1 hour. After addition of ether and separation of the phases by settling, the organic phase is dried over Na
Computed Properties
Molecular Weight:192.98
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.9493327
Monoisotopic Mass:191.9493327
Topological Polar Surface Area:63.1
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4-Dichloro-5-pyrimidinecarboxylic acid
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