6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
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6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
structure -
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CAS No:
6972-27-6
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Formula:
C6H7ClN2O2
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Chemical Name:
6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
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Synonyms:
2,4(1H,3H)-Pyrimidinedione,6-chloro-1,3-dimethyl-;Uracil,6-chloro-1,3-dimethyl-;6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione;1,3-Dimethyl-6-chlorouracil;6-Chloro-1,3-dimethyluracil;4-Chloro-1,3-dimethyluracil;6-Chloro-1,3-dimethyl-2,4-dioxopyrimidine;6-Chloro-1,3-dimethylpyrimidine-2,4-dione;NSC 61919;6-Chloro-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
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CAS No:
6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione Basic Attributes
174.58
174.59
144393
230-205-2
D2KV5G5M9F
61919
DTXSID40220008
2933599090
Characteristics
40.6
0.2
White or light white crystal powder
1.4±0.1 g/cm3
111 °C
224.6°C at 760 mmHg
89.6±30.1 °C
1.577
H2O: soluble
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
IRRITANT
3
36/37/38
37/39-26-37
Xi
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione Use and Manufacturing
1, 3-dimethylbarbituric acid (compound SM1) (7 kg, 44.9mmo1) dissolved in 120 kg phosphorus oxychloride (POClMethod B: To ice-cold solution of 1 , 3-dimethylbarbituric acid (1 Kg) in water (300 ml), phosphorous oxychloride (3.3 L) was drop wise added and the reaction mixture was refluxed for 3 h. After completion of reaction, the excess of phosphorous oxychloride was evaporated under reduced pressure. The reaction mixture was quenched using ice cold water under cooling. The mixture was extracted with dichloromethane (2 x 2.5 L). The combined organic extract was washed with saturated sodium bicarbonate solution (2.5 L), dried (anhydrous NaTo a suspension of 1, 3-dimethylbarbituric acid (7.8 g, 50 mmol) in POCl
Used as pharmaceutical intermediate
Computed Properties
Molecular Weight:174.58
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:174.0196052
Monoisotopic Mass:174.0196052
Topological Polar Surface Area:40.6
Heavy Atom Count:11
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
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