4,6-Dichloro-5-nitropyrimidine
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4,6-Dichloro-5-nitropyrimidine
structure -
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CAS No:
4316-93-2
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Formula:
C4HCl2N3O2
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Chemical Name:
4,6-Dichloro-5-nitropyrimidine
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Synonyms:
Pyrimidine,4,6-dichloro-5-nitro-;4,6-Dichloro-5-nitropyrimidine;NSC 89693
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CAS No:
4,6-Dichloro-5-nitropyrimidine Basic Attributes
193.98
193.98
224-340-6
89693
DTXSID9063409
2933599090
Characteristics
71.6
2
1.7±0.1 g/cm3
102-104 °C
325.8°C at 760 mmHg
150.8±26.5 °C
1.611
Refrigerator
Safety Information
UN 3335
3
36/37/38-23/24/25
26-36-45-36/37/39-7/9
UV8258000
Xi,T
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 129 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,6-Dichloro-5-nitropyrimidine Use and Manufacturing
Dimethylaniline (32.6 mL, 246 mmol) was added to a suspension of 4, 6-dihydroxy-5-nitropyrimidine (25 g, 160 mmol) in phosphorus oxychloride (96 mL, 1056 mmol) and heated in an oil-bath at 125-130 °C for 1 h. The excess of phosphorus oxychloride was removed by evaporation and the residue was poured on ice (300 g). The solid formed was filtrated and the filtrated was extracted with ether. The combined organic layers were washed with water and brine, dried (Na2SO4) and evaporated. After evaporation of the solvent, the residue was purified by short chromatography in DCM and the product was obtained as pale brown solid (21.5 g, 70 percent yield). 1H nmr (DMSO-D6): δ 8.3 (s, 1H, Ar).
Pharmaceutical intermediate for the synthesis of vitamin B4.
Pyrimidine, 4,6-dichloro-5-nitro-: ACTIVE
Computed Properties
Molecular Weight:193.97
XLogP3:2
Hydrogen Bond Acceptor Count:4
Exact Mass:192.9445817
Monoisotopic Mass:192.9445817
Topological Polar Surface Area:71.6
Heavy Atom Count:11
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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