5-Chloro-1H-pyrimidin-2-one supplier

Name
5-CHLORO-2-HYDROXYPYRIMIDINE
EINECS 259-106-2
CAS No. 54326-16-8
Article Data10
CAS DataBase
Density 1.55 g/cm^3/sup>
Solubility
Melting Point 237-238 °C (decomp)
Formula C₄H₃ClN₂O
Boiling Point
Molecular Weight 130.534
Flash Point
Transport Information
Appearance off-white Solid
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Pyrimidinol,5-chloro- (6CI);2-Oxo-5-chloropyrimidine;5-Chloro-2(1H)-pyrimidinone;5-Chloro-2-hydroxypyrimidine;5-Chloro-2-pyrimidone;5-Chloropyrimidin-2-one;NY 3000;
PSA 45.75000
LogP 0.42330

5-Chloro-1H-pyrimidin-2-one Specification

The 2(1H)-Pyrimidinone,5-chloro-, with the CAS registry number 54326-16-8, is also known as 5-Chloro-2-hydroxypyrimidine. It belongs to the product categories of Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines. Its EINECS registry number is 259-106-2. This chemical's molecular formula is C₄H₃ClN₂O and molecular weight is 130.53. Its systematic name is called 5-chloropyrimidin-2(1H)-one. This chemical's classification code is Mutation Data.

Physical properties of 2(1H)-Pyrimidinone,5-chloro-: (1)ACD/LogP: -1.43; (2)ACD/LogD (pH 5.5): -1.43; (3)ACD/LogD (pH 7.4): -1.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.98; (7)ACD/KOC (pH 7.4): 3.94; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 29.98 cm³; (12)Molar Volume: 84 cm³; (13)Surface Tension: 54.1 dyne/cm; (14)Density: 1.55 g/cm³.

Uses of 2(1H)-Pyrimidinone,5-chloro-: it can be used to produce 1-butyl-5-chloropyrimidin-2-one with 1-bromo-butane at ambient temperature. This reaction will need solvent dimethylformamide. The yield is about 62%.

2(1H)-Pyrimidinone,5-chloro- can be used to produce 1-butyl-5-chloropyrimidin-2-one with 1-bromo-butane

You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1\C=N/C(=O)NC=1
(2)InChI: InChI=1/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
(3)InChIKey: OCSYCDVQABSEPJ-UHFFFAOYAA

Product Name

5-CHLORO-2-HYDROXYPYRIMIDINE

5-Chloro-1H-pyrimidin-2-one Specification

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