2,4(1H,3H)-Pyrimidinedione,5-iodo-1,3,6-trimethyl- supplier

Name
1,2,3,4-TETRAHYDRO-5-IODO-1,3,6-TRIMETHYL-2,4-DIOXOPYRIMIDINE
EINECS
CAS No. 134039-54-6
Article Data4
CAS DataBase
Density 1.91 g/cm³
Solubility
Melting Point 152-153 °C(Solv: ligroine (8032-32-4))
Formula C₇H₉IN₂O₂
Boiling Point 273.01 °C at 760 mmHg
Molecular Weight 280.065
Flash Point 118.912 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tetrahydroiodotrimethyldioxopyrimidine;
PSA 44.00000
LogP -0.00300

2,4(1H,3H)-Pyrimidinedione,5-iodo-1,3,6-trimethyl- Specification

The 2,4(1H,3H)-Pyrimidinedione,5-iodo-1,3,6-trimethyl-, with the CAS registry number of 134039-54-6, is also known as Tetrahydroiodotrimethyldioxopyrimidine. Its molecular formula is C₇H₉IN₂O₂ and molecular weight is 280.06. What's more, its systematic name is 5-Iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione.

Physical properties about the 2,4(1H,3H)-Pyrimidinedione,5-iodo-1,3,6-trimethyl- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 237; (8)ACD/KOC (pH 7.4): 237; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 52.784 cm³; (15)Molar Volume: 146.457 cm³; (16)Surface Tension: 55.431 dyne/cm; (17)Density: 1.912 g/cm³; (18)Flash Point: 118.912 °C; (19)Enthalpy of Vaporization: 51.133 kJ/mol; (20)Boiling Point: 273.01 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1C(/C)=C(/I)C(=O)N(C)C1=O
(2) InChI: InChI=1/C7H9IN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
(3) InChIKey: OGGRCIQVWZBFPS-UHFFFAOYAF

Product Name

1,2,3,4-TETRAHYDRO-5-IODO-1,3,6-TRIMETHYL-2,4-DIOXOPYRIMIDINE

2,4(1H,3H)-Pyrimidinedione,5-iodo-1,3,6-trimethyl- Specification

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