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5-Cyanouracil

5-Cyanouracil structure

5-Cyanouracil 

structure
  • CAS No:

    4425-56-3

  • Formula:

    C5H3N3O2

  • Chemical Name:

    5-Cyanouracil

  • Synonyms:

    5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-2,4-dioxo-;1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarbonitrile;5-Cyanouracil;2,4(1H,3H)-Pyrimidinedione,5-cyano-;NSC 12931;NSC 44192;NSC 667760;Uracil-5-carbonitrile;2,4-Dioxo-1H-pyrimidine-5-carbonitrile;2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;2,4-Dihydroxypyrimidine-5-carbonitrile;2-Hydroxy-4-oxo-1,4-dihydropyrimidine-5-carbonitrile;5428-41-1

5-Cyanouracil Basic Attributes

137.098

137.10

667760|44192|12931

DTXSID70196080

2933599090

Characteristics

82

-0.9

1.7±0.1 g/cm3

295 °C (decomp)

524.8°C at 760 mmHg

271.2±32.9 °C

1.670

Safety Information

20/22

22-36/37

Xi

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, P501

H302

|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|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

5-cyano-6-aryl-2-thiouracil

5-Cyanouracil Use and Manufacturing

Particularly preferred inactivators of uracil reductase for use in accordance with the invention are 5-ethynyluracil and 5-propynyluracil. Other inactivators for such use include: 5-ethynyluracil Particularly preferred inactivators of uracil reductase for use in accordance with the invention are 5-ethynyluracil and 5-propynyluracil. other inactivators for such use include:- Particularly preferred uracil derivatives which form part of the compounds as hereinbefore defined are 5-ethynyluracil and 5-propynyluracil. Other such inactivators include: After the reaction in step (2), the intermediate II obtained is added with 2.5-3.0mol / L of dilute hydrochloric acid 30-150mL, and then the microwave reaction temperature is 80-100 CThe power is 500W, radiate for 30 to 50 minutes under normal pressure, cool, and filter to get:The urea 1-300 mmol and malononitrile 1-300 mmol are carried out in an amount of equal substances and an excess of 10-80 mL of triethyl orthoformate, The microwave temperature does not exceed 80 degrees at 500W power, otherwise it will affect product purity and color.In order to get good products, The intermediate II in the second step is decolorized with 0.1-0.5 g of activated carbon and acidified with 5-30 mL of glacial acetic acid.

Computed Properties

Molecular Weight:137.10
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:137.022526347
Monoisotopic Mass:137.022526347
Topological Polar Surface Area:82
Heavy Atom Count:10
Complexity:270
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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