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Basic Information
CAS No.: 615-77-0
Name: 1-METHYLURACIL
Article Data: 10
Molecular Structure:
Molecular Structure of 615-77-0 (1-METHYLURACIL)
Formula: C5H6 N2 O2
Molecular Weight: 126.115
Synonyms: Uracil,1-methyl- (8CI); 1-Methyluracil; N1-Methyluracil; NSC 44432; Pseudothymine
Density: 1.263g/cm3
Melting Point: 236-238 °C(lit.)
Boiling Point: 260.1ºC at 760 mmHg
Flash Point: 111.1ºC
Solubility: 20g/L(temperature not stated)
Hazard Symbols: Xn
Risk Codes: 40
PSA: 54.86000
LogP: -0.92640
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Chemistry

Molecular Structure of 1-Methyl-2,4(1H,3H)-pyrimidinedione (CAS No.615-77-0):
 
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133
CAS No: 615-77-0
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.511
Molar Refractivity: 29.93 cm3
Molar Volume: 99.8 cm3
Surface Tension: 41.3 dyne/cm
Density: 1.263 g/cm3
Flash Point: 111.1 °C
Enthalpy of Vaporization: 57.82 kJ/mol
Boiling Point: 260.1 °C at 760 mmHg
Vapour Pressure: 0.00181 mmHg at 25°C
InChI: InChI=1/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
InChIKey: XBCXJKGHPABGSD-UHFFFAOYAF
Std. InChI: InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
Std. InChIKey: XBCXJKGHPABGSD-UHFFFAOYSA-N
IUPAC Name: 1-Methylpyrimidine-2,4-dione
Product Categories: Heterocyclic Compounds;Nucleotides and Nucleosides;Bases Related Reagents;Nucleotides

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 40
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-36
S22:Do not breathe dust. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

  1-Methyl-2,4(1H,3H)-pyrimidinedione (CAS No.615-77-0), its synonyms are 1-Methylpyrimidine-2,4(1H,3H)-dione ; 2,4(1H,3H)-pyrimidinedione, 1-methyl- ; 2,4(1H,3H)-Pyrimidinedione, methyl- ; Methyl-2,4(1H,3H)-pyrimidinedione ; 1-Methyl-1H-yrimidine-2,4-dione .