4-Pyrimidinol

Modify Date: 2025-08-22 11:42:03

4-Pyrimidinol Structure
4-Pyrimidinol structure
Common Name 4-Pyrimidinol
CAS Number 4562-27-0 Molecular Weight 96.087
Density 1.3±0.1 g/cm3 Boiling Point 227.2±13.0 °C at 760 mmHg
Molecular Formula C4H4N2O Melting Point 163-167ºC
MSDS USA Flash Point 91.2±19.8 °C

 Names

Name 4-Pyrimidinol
Synonym More Synonyms

 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
InChIKey DNCYBUMDUBHIJZ-UHFFFAOYSA-N
SMILES O=c1ccnc[nH]1
Storage condition 2-8°C

 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

 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%

 Articles4

More 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...

 Synonyms

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
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