4-Pyrimidinol
Names
[ CAS No. ]:
4562-27-0
[ 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
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
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
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...