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| CAS No.: | 874-14-6 |
|---|---|
| Name: | 1,3-Dimethyluracil |
| Article Data: | 111 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8N2O2 |
| Molecular Weight: | 140.142 |
| Synonyms: | 1,3-dimethylpyrimidine-2,4-dione;2,4 (1H,3H)-Pyrimidinedione, 1, 3-dimethyl-;Uracil, 1,3-dimethyl-;2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-;N,N-Dimethyluracil;Uracil, 1,3-dimethyl- (8CI);N1,N3-Dimethyluracil;1,3-Dimethyl Uracil;1,3-Dimethyl-uracil; |
| EINECS: | 212-856-4 |
| Density: | 1.22 g/cm3 |
| Melting Point: | 119-122 °C(lit.) |
| Boiling Point: | 208.4 °C at 760 mmHg |
| Flash Point: | 84.3 °C |
| Solubility: | almost transparency |
| Appearance: | white to light yellow needles |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36-36/37/38 |
| Safety: | 22-24/25-39-26-36/37 |
| PSA: | 44.00000 |
| LogP: | -0.91600 |
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Chemistry
Molecule structure of 1,3-Dimethyluracil (CAS NO.874-14-6):
.
IUPAC Name: 1,3-Dimethylpyrimidine-2,4-dione
Molecular Weight: 140.13992 g/mol
Molecular Formula: C6H8N2O2
Density: 1.22 g/cm3
Melting Point: 119-122 °C(lit.)
Boiling Point: 208.4 °C at 760 mmHg
Flash Point: 84.3 °C
Index of Refraction: 1.519
Molar Refractivity: 34.86 cm3
Molar Volume: 114.8 cm3
Surface Tension: 41.3 dyne/cm
Enthalpy of Vaporization: 44.47 kJ/mol
Vapour Pressure: 0.214 mmHg at 25 °C
XLogP3: -0.5
H-Bond Acceptor: 2
Exact Mass: 140.058578
MonoIsotopic Mass: 140.058578
Topological Polar Surface Area: 40.6
Heavy Atom Count: 10
Canonical SMILES: CN1C=CC(=O)N(C1=O)C
InChI: InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
InChIKey: JSDBKAHWADVXFU-UHFFFAOYSA-N
EINECS: 212-856-4
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36-36/37/38
R36:Irritating to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-39-26-36/37
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S39:Wear eye / face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
Specification
1,3-Dimethyluracil (CAS NO.874-14-6) is also named as N,N'-Dimethyluracil ; N1,N3-Dimethyluracil ; NSC 401858 ; 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl- ; Uracil, 1,3-dimethyl- (8CI) . 1,3-Dimethyluracil (CAS NO.874-14-6) is white to light yellow needles.