CAS No.6554-61-6,4,5-DICHLOROPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6554-61-6
Name:	4,5-DICHLOROPYRIMIDINE
Article Data:	11

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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Specification

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