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480-68-2

480-68-2 Structure

480-68-2 Structure
IdentificationMore
[Name]

5-NITROBARBITURIC ACID
[CAS]

480-68-2
[Synonyms]

5-NITRO-2,4,6-TRIHYDROXYPYRIMIDINE
5-NITROBARBITURIC ACID
AKOS 89968
AURORA KA-3829
DILITURIC ACID
NITROBARBITURIC ACID
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-nitro-
5-nitro-2,4,6(1h,3h,5h)-pyrimidinetrione
5-Nitro-2,4,6-(1H,3H.5H)-pyrimidinetrione
5-nitro-barbituricaci
5-Nitrobarbiuricacid
6(1h,3h,5h)-pyrimidinetrione,5-nitro-4
5-Nitrobarbitursαure
5-Nitro-hexahydropyrimidine-2,4,6-trione
[EINECS(EC#)]

207-557-0
[Molecular Formula]

C4H3N3O5
[MDL Number]

MFCD00006667
[Molecular Weight]

173.08
[MOL File]

480-68-2.mol
Chemical PropertiesBack Directory
[Appearance]

Prisms and leaflets from water.Slightly soluble in water; soluble in alcohol and sodium hydroxide solution; insoluble in ether.
[Melting point ]

180.5°C
[Boiling point ]

303.69°C (rough estimate)
[density ]

1.79±0.1 g/cm3(Predicted)
[refractive index ]

1.5000 (estimate)
[storage temp. ]

Store at -20°C
[form ]

Solid
[pka]

-1.70±0.20(Predicted)
[color ]

Off-white to light yellow
[Merck ]

6585
[Uses]

Microreagent for potassium.
[CAS DataBase Reference]

480-68-2(CAS DataBase Reference)
[EPA Substance Registry System]

480-68-2(EPA Substance)
Questions And AnswerBack Directory
[synthesis]

5-Nitrobarbituric acid can be obtained by nitration of barbituric acid with fuming nitric acid below 40°C with a yield of 85-90%.
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RTECS ]

CQ7300000
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

29335400
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Barbituric acid
[Preparation Products]

5,7-dichlorooxazolo[5,4-d]pyrimidine
Hazard InformationBack Directory
[Chemical Properties]

Prisms and leaflets from water.Slightly soluble in water; soluble in alcohol and sodium hydroxide solution; insoluble in ether.
[IC 50]

HSV-1: 1.7 μM (IC50)
[Purification Methods]

Crystallise diliuric acid from water as the trihydrate (m 180-181o (dec). Drying over 70% H2SO4 converts the trihydrate to the dihydrate [Loeffler & Moore J Am Chem Soc 70 3650 1948]. [Beilstein 24 H 474, 24 II 273, 24 III/IV 1882.]
Spectrum DetailBack Directory
[Spectrum Detail]

5-NITROBARBITURIC ACID(480-68-2)MS
5-NITROBARBITURIC ACID(480-68-2)1HNMR
5-NITROBARBITURIC ACID(480-68-2)13CNMR
5-NITROBARBITURIC ACID(480-68-2)IR1
5-NITROBARBITURIC ACID(480-68-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

480-68-2(sigmaaldrich)
[TCI AMERICA]

5-Nitrobarbituric Acid  Trihydrate,>98.0%(T)(480-68-2)
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