2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-5-nitro- supplier

Name
1,3-DIMETHYL-5-NITROURACIL HYDRATE
EINECS 255-462-8
CAS No. 41613-26-7
Article Data20
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point 155-160ºC(lit.)
Formula C₆H₇N₃O₄
Boiling Point 262.7 °C at 760 mmHg
Molecular Weight 185.139
Flash Point 112.7 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Uracil,1,3-dimethyl-5-nitro- (6CI,7CI);1,3-Dimethyl-5-nitrouracil;N1,N3-Dimethyl-5-nitrouracil;NSC 70452;
PSA 99.05000
LogP -0.54890

2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-5-nitro- Specification

The 2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-5-nitro- is an organic compound with the formula C₆H₇N₃O₄. The IUPAC name of this chemical is 1,3-dimethyl-5-nitropyrimidine-2,4-dione. With the CAS registry number 41613-26-7, it is also named as 1,3-dimethyl-5-nitrouracil.

Physical properties about 2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-5-nitro- are: (1)ACD/LogP: -0.09; (2)ACD/LogD (pH 5.5): -0.09; (3)ACD/LogD (pH 7.4): -0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.23; (7)ACD/KOC (pH 7.4): 21.23; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 86.44 Å²; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 41.49 cm³; (13)Molar Volume: 122.4 cm³; (14)Polarizability: 16.44×10^-24cm³; (15)Surface Tension: 63.9 dyne/cm; (16)Density: 1.51 g/cm³; (17)Flash Point: 112.7 °C; (18)Enthalpy of Vaporization: 50.05 kJ/mol; (19)Boiling Point: 262.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0107 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)\C(=C/N1C)[N+]([O-])=O)C
(2)InChI: InChI=1/C6H7N3O4/c1-7-3-4(9(12)13)5(10)8(2)6(7)11/h3H,1-2H3
(3)InChIKey: SDLBIQNBDPOOPJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H7N3O4/c1-7-3-4(9(12)13)5(10)8(2)6(7)11/h3H,1-2H3
(5)Std. InChIKey: SDLBIQNBDPOOPJ-UHFFFAOYSA-N

Product Name

1,3-DIMETHYL-5-NITROURACIL HYDRATE

2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-5-nitro- Specification

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