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59987-31-4

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Basic Information
CAS No.: 59987-31-4
Name: 5-Amino-2,4-dichloropyrimidine
Article Data: 11
Molecular Structure:
Molecular Structure of 59987-31-4 (5-Amino-2,4-dichloropyrimidine)
Formula: C4H3Cl2N3
Molecular Weight: 211.174
Synonyms: 5-Pyrimidinamine, 2,4-dichloro-;
Density: 1.606 g/cm3
Boiling Point: 290.7 °C at 760 mmHg
Flash Point: 129.6 °C
PSA: 84.51000
LogP: 1.25010
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Specification

The 5-Amino-2, 4-dichloropyrimidine, with the CAS registry number 59987-31-4, is also known as 5-Pyrimidinamine, 2, 4-dichloro-. This chemical's molecular formula is C4H3Cl2N3 and molecular weight is 162.97. What's more, its systematic name is 2, 4-Dichloropyrimidin-5-amine.

Physical properties about 5-Amino-2, 4-dichloropyrimidine are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.02 Å2; (7)Index of Refraction: 1.633; (8)Molar Refractivity: 36.46 cm3; (9)Molar Volume: 102 cm3; (10)Polarizability: 14.45×10-24 cm3; (11)Surface Tension: 68 dyne/cm; (12)Density: 1.606 g/cm3; (13)Flash Point: 129.6 °C; (14)Enthalpy of Vaporization: 53.01 kJ/mol; (15)Boiling Point: 290.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00204 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(Cl)ncc1N
(2) InChI: InChI=1/C4H3Cl2N3/c5-3-2(7)1-8-4(6)9-3/h1H,7H2
(3) InChIKey: RINHVELYMZLXIW-UHFFFAOYAF