4-Pyrimidinol

Names

[ Name ]:
4-Pyrimidinol

[Synonym ]:
3H-Pyrimidin-4-one
4(1H)-Pyrimidinone
4[1H]-pyrimidinone
1H-Pyrimidin-4-one
4(6)-Hydroxypyrimidine
Pyrimidine, 4-hydroxy-
4(3H)-Pyrimidinone
Pyrimidin-4(3H)-one
EINECS 224-932-4
MFCD00167178
T6N CNJ DQ
4-Pyrimidinol
Pyrimidin-4(1H)-one
4-Hydroxypyrimidine
T6VN DMJ
pyrimidin-4-ol
T6VM DNJ
4(3H)-Pyrimidone

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
227.2±13.0 °C at 760 mmHg

[ Melting Point ]:
163-167ºC

[ Molecular Formula ]:
C₄H₄N₂O

[ Molecular Weight ]:
96.087

[ Flash Point ]:
91.2±19.8 °C

[ Exact Mass ]:
96.032364

[ PSA ]:
46.01000

[ LogP ]:
-1.12

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.568

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7350100

CHEMICAL NAME :: 4(1H)-Pyrimidinone

CAS REGISTRY NUMBER :: 4562-27-0

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C4-H4-N2-O

MOLECULAR WEIGHT :: 96.10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Phage inhibition capacity

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 1 gm/L

REFERENCE :: ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie. (Akademie-Verlag GmbH, Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.) V.1- 1960- Volume(issue)/page/year: 12,583,1972

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
22-24/25-36-26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UW7350100

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Gas-phase tautomeric equilibrium of 4-hydroxypyrimidine with its ketonic forms: a free jet millimeterwave spectroscopy study.

J. Am. Chem. Soc. 129(19) , 6287-90, (2007)

4-Hydroxypyrimidine (4HP) has two conformational forms (the hydroxyl hydrogen cis or trans with respect to the adjacent nitrogen), which are in tautomeric equilibrium with two ketonic forms, 4-pyrimid...

Tautomerism in 4-hydroxypyrimidine, S-methyl-2-thiouracil, and 2-thiouracil.

J. Phys. Chem. A 114(48) , 12725-30, (2010)

The keto-enol tautomerism of 4-hydroxypyrimidine and of the related molecules S-methyl-2-thiouracil and 2-thiouracil has been investigated using synchrotron-based techniques. The populations of the co...

Synthesis and biological activity of N(4)-phenylsubstituted-6-(2,4-dichloro phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic and antitumor agents.

Bioorg. Med. Chem. 18(10) , 3575-87, (2010)

A series of eight N(4)-phenylsubstituted-6-(2,4-dichlorophenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines 8-15 were synthesized as vascular endothelial growth factor receptor-2 (VEGFR-2) inhibito...