Pyrimidine, 4,6-diiodo- supplier

Name
4,6-DIIODOPYRIMIDINE
EINECS
CAS No. 19646-06-1
Article Data12
CAS DataBase
Density 2.765 g/cm³
Solubility
Melting Point
Formula C₄H₂I₂N₂
Boiling Point 333.883 °C at 760 mmHg
Molecular Weight 331.882
Flash Point 155.727 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-Diiodopyrimidine;
PSA 25.78000
LogP 1.68580

Pyrimidine, 4,6-diiodo- Specification

The Pyrimidine, 4,6-diiodo- is an organic compound with the formula C₄H₂I₂N₂. The IUPAC name of this chemical is 4,6-diiodopyrimidine and the CAS registry number is 19646-06-1. In addition, the molecular weight is 331.881.

The other characteristics of Pyrimidine, 4,6-diiodo- can be summarized as: (1) ACD/LogP: 2.41; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 5; (6) ACD/BCF (pH 7.4): 5; (7) ACD/KOC (pH 5.5): 117; (8) ACD/KOC (pH 7.4): 117; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 25.78 Å²; (13) Index of Refraction: 1.737; (14) Molar Refractivity: 48.249 cm³; (15) Molar Volume: 120.027 cm³; (16) Surface Tension: 69.686 dyne/cm; (17) Density: 2.765 g/cm³; (18) Flash Point: 155.727 °C; (19) Enthalpy of Vaporization: 55.392 kJ/mol; (20) Boiling Point: 333.883 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
1. SMILES:Ic1cc(I)ncn1
2. InChI:InChI=1/C4H2I2N2/c5-3-1-4(6)8-2-7-3/h1-2H
3. InChIKey:LBVUFZJYMWUZIW-UHFFFAOYAW
4. Std. InChI:InChI=1S/C4H2I2N2/c5-3-1-4(6)8-2-7-3/h1-2H
5. Std. InChIKey:LBVUFZJYMWUZIW-UHFFFAOYSA-N

Product Name

4,6-DIIODOPYRIMIDINE

Pyrimidine, 4,6-diiodo- Specification

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