Name: 2,4-DIIODOPYRIMIDINE
SKU: 262353-34-4

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Basic Information

Molecular Structure:
CAS No.:	262353-34-4
Name:	2,4-DIIODOPYRIMIDINE
Article Data:	5

Formula:	C₄H₂I₂N₂
Molecular Weight:	331.882
Synonyms:	2,4-Diiodopyrimidine;
Density:	2.765 g/cm³
Melting Point:	125-126 °C
Boiling Point:	365.115 °C at 760 mmHg
Flash Point:	174.615 °C
PSA:	25.78000
LogP:	1.68580

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Specification

The Pyrimidine, 2,4-diiodo-, with the CAS registry number 262353-34-4. It belongs to the product categories of Pyrazines, Pyrimidines & Pyridazines; Halides. This chemical's molecular formula is C₄H₂I₂N₂ and molecular weight is 331.87. What's more, its systematic name is 2,4-Diiodopyrimidine.

Physical properties of Pyrimidine, 2,4-diiodo- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.527; (4)ACD/LogD (pH 7.4): 2.527; (5)ACD/BCF (pH 5.5): 49.034; (6)ACD/BCF (pH 7.4): 49.034; (7)ACD/KOC (pH 5.5): 564.513; (8)ACD/KOC (pH 7.4): 564.513; (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)Polarizability: 19.127×10^-24 cm³; (17)Surface Tension: 69.686 dyne/cm; (18)Density: 2.765 g/cm³; (19)Flash Point: 174.615 °C; (20)Enthalpy of Vaporization: 58.732 kJ/mol; (21)Boiling Point: 365.115 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(nc1I)I
(2)InChI: InChI=1/C4H2I2N2/c5-3-1-2-7-4(6)8-3/h1-2H
(3)InChIKey: OWKYCEXJWCVTMS-UHFFFAOYAR