2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro- supplier

Name
5-CHLOROBARBITURIC ACID
EINECS 243-200-5
CAS No. 19645-77-3
Article Data8
CAS DataBase
Density 1.69 g/cm³
Solubility
Melting Point 320 °C
Formula C₄H₃ClN₂O₃
Boiling Point
Molecular Weight 162.532
Flash Point
Transport Information
Appearance off-white to light beige powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Barbituricacid, 5-chloro- (7CI,8CI);5-Chloro-2,4,6-trihydroxypyrimidine;5-Chlorobarbituric acid;
PSA 75.27000
LogP -0.38260

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro- Specification

The 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro-, with the CAS registry number 19645-77-3, is also known as 5-Chlorobarbituric acid. Its EINECS registry number is 243-200-5. This chemical's molecular formula is C₄H₃ClN₂O₃ and molecular weight is 162.5312. Its IUPAC name is called 5-chloro-1,3-diazinane-2,4,6-trione. When you are using this chemical, please be cautious about it. It is irritating to eyes, respiratory system and skin. You must avoid contact with skin and eyes. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro-: (1)ACD/LogP: -0.95; (2)ACD/LogD (pH 5.5): -3.32; (3)ACD/LogD (pH 7.4): -3.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 30.97 cm³; (12)Molar Volume: 95.6 cm³; (13)Surface Tension: 63 dyne/cm; (14)Density: 1.69 g/cm³.

Uses of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro-: it can be used to produce 1-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-nicotinic acid methyl ester by heating. This reaction will need solvent dimethylformamide with reaction time of 5 min. The yield is about 71%.

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro- can be used to produce 1-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-nicotinic acid methyl ester by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(C(=O)NC(=O)NC1=O)Cl
(2)InChI: InChI=1S/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)
(3)InChIKey: XDDWKERRJNWQIL-UHFFFAOYSA-N

Product Name

5-CHLOROBARBITURIC ACID

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-chloro- Specification

Related Products

Hot Products