ChemicalBook--->CAS DataBase List--->4562-27-0

4562-27-0

4562-27-0 Structure

4562-27-0 Structure
IdentificationMore
[Name]

4-Pyrimidinol
[CAS]

4562-27-0
[Synonyms]

4-Oxopyrimidine
4-Oxypyrimidine
6-Hydroxypyrimidine
Deaminoisocytosine
4-HYDROXYPYRIMIDINE, 98+%
4-Pyrimidinol~4-Pyrimidone
1H-pyrimidin-4-one
4(1H)-Pyrimidinone (6CI,8CI,9CI)
pyrimidin-4-one
4-Pyrimidinol
Uraeil
4(6)-Hydroxypyrimidine, 4-Pyrimidinol
2-Deoxyuracil
Pyrimidin-4(1H)-one
[EINECS(EC#)]

224-932-4
[Molecular Formula]

C4H4N2O
[MDL Number]

MFCD00167178
[Molecular Weight]

96.09
[MOL File]

4562-27-0.mol
Chemical PropertiesBack Directory
[Melting point ]

163-167 °C
[density ]

1.28
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Very Slightly)
[form ]

Solid
[pka]

9.02±0.40(Predicted)
[color ]

White to Orange to Green
[BRN ]

609975
[InChI]

InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
[InChIKey]

DNCYBUMDUBHIJZ-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(=O)N1
[CAS DataBase Reference]

4562-27-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4(1H)-pyrimidinone(4562-27-0)
[EPA Substance Registry System]

4562-27-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

UW7350100
[TSCA ]

Yes
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Toxicity]

pic-esc 1 g/L ZAPOAK12,583,1972
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Hydrogen peroxide-->Calcium hydroxide-->2-Thiouracil-->4-Hydroxypyrimidine
[Preparation Products]

Risperidone
Hazard InformationBack Directory
[Chemical Properties]

Light yellow crystalline
[Uses]

4(3H)-Pyrimidinone, is a derivative of Pyrimidone, that can be used as a building block for the preparation of many other biologically molecules, such as Metharbital. It has also been shown to present in the GU "wobble" pair.
[Safety Profile]

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx
[Purification Methods]

It crystallises from *benzene or ethyl acetate. The picrate has m 164-166o and crystallises from EtOH [Brown et al. J Chem Soc 4035 1955, Beilstein 24 III/IV 171.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Pyrimidinol(4562-27-0)1HNMR
4-Pyrimidinol(4562-27-0)IR
4-Pyrimidinol(4562-27-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4562-27-0(sigmaaldrich)
[TCI AMERICA]

4(3H)-Pyrimidinone,>98.0%(GC)(T)(4562-27-0)
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