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CAS No.: | 6554-61-6 |
---|---|
Name: | 4,5-DICHLOROPYRIMIDINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C4H2Cl2N2 |
Molecular Weight: | 148.979 |
Synonyms: | 4,5-Dichloropyrimidine;Pyrimidine, 4,5-dichloro- (7CI,8CI,9CI); |
Density: | 1.493 g/cm3 |
Boiling Point: | 219.727 °C at 760 mmHg |
Flash Point: | 107.572 °C |
PSA: | 25.78000 |
LogP: | 1.78340 |
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The systematic name of Pyrimidine,4,5-dichloro- is 4,5-dichloropyrimidine. With the CAS registry number 6554-61-6, it is also named as Pyrimidine, 4,5-dichloro- (7CI,8CI,9CI). The product's category is Pyrimidine. In addition, its molecular formula is C4H2Cl2N2 and its molecular weight is 148.97808.
The other characteristics of Pyrimidine,4,5-dichloro- can be summarized as: (1)ACD/LogP: 0.69; (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): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 100; (8)ACD/KOC (pH 7.4): 100; (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: 1.559; (14)Molar Refractivity: 32.225 cm3; (15)Molar Volume: 99.782 cm3; (16)Polarizability: 12.775×10-24cm3; (17)Surface Tension: 51.503 dyne/cm; (18)Density: 1.493 g/cm3; (19)Flash Point: 107.572 °C; (20)Enthalpy of Vaporization: 43.757 kJ/mol; (21)Boiling Point: 219.727 °C at 760 mmHg; (22)Vapour Pressure: 0.174 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ncncc1Cl
(2)InChI: InChI=1/C4H2Cl2N2/c5-3-1-7-2-8-4(3)6/h1-2H
(3)InChIKey: NHTURKUJYDHMIQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C4H2Cl2N2/c5-3-1-7-2-8-4(3)6/h1-2H
(5)Std. InChIKey: NHTURKUJYDHMIQ-UHFFFAOYSA-N