ChemicalBook--->CAS DataBase List--->557-01-7

557-01-7

557-01-7 Structure

557-01-7 Structure
IdentificationMore
[Name]

2-Hydroxypyrimidine
[CAS]

557-01-7
[Synonyms]

2-HYDROXYPYRIMIDINE
2-OXOPYRIMIDINE
PYRIMIDIN-2-OL
TIMTEC-BB SBB004380
2(1h)-pyrimidinone
2-Pyrimidinol
1H-pyrimidin-2-one
2(1H)-Pyrimidinone (6CI,7CI,8CI,9CI)
2-Hydroxypyrinide
2-HYDROXYPYRIMIDINE, 98+%
4-Deoxyuracil
Pyrimidin-2(1H)-one
[EINECS(EC#)]

209-149-8
[Molecular Formula]

C4H4N2O
[MDL Number]

MFCD00047358
[Molecular Weight]

96.09
[MOL File]

557-01-7.mol
Chemical PropertiesBack Directory
[Melting point ]

177-178 °C(Solv: ethyl acetate (141-78-6))
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

pK1:2.24(+1);pK2:9.17(0) (25°C)
[Appearance]

White to off-white Solid
[InChI]

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

VTGOHKSTWXHQJK-UHFFFAOYSA-N
[SMILES]

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

557-01-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2(1H)-Pyrimidinone(557-01-7)
[EPA Substance Registry System]

557-01-7(EPA Substance)
Safety DataBack Directory
[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 .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

Pyrimidin-2(5H)-one is a useful research chemical compound used in the preparation . of a palladium-containing metal-organic framework as a reusable catalyst for the Suzuki coupling of p-bromoanisole and phenylboronic acid.
[Definition]

ChEBI: Pyrimidin-2-ol is the hydroxypyrimidine that is pyrimidine mono-substituted at C-2 by a hydroxy group. It has a role as a Lewis base and an electron donor.
[Purification Methods]

It crystallises from EtOH or ethyl acetate. Its solubility in H2O at 20o is 1g/2.2mL. [Albert J Chem Soc 4219 1952, Beilstein 24 III/IV 194.]. 2-Hydroxypyrimidine hydrochloride [38353-09-2] M 132.5, has m 203-205.5o(dec)
Spectrum DetailBack Directory
[Spectrum Detail]

2-Hydroxypyrimidine(557-01-7)1HNMR
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