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51501-53-2

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Basic Information
CAS No.: 51501-53-2
Name: 4,5,6-trichloropyrimidin-2-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 51501-53-2 (4,5,6-trichloropyrimidin-2-amine)
Formula: C4H2Cl3N3
Molecular Weight: 198.439
Synonyms: 2-Amino-4,5,6-trichloropyrimidine;4,5,6-Trichloro-2-aminopyrimidine;NSC 403354;
EINECS: 604-604-1
Density: 1.74 g/cm3
Melting Point: 236-237 °C
Boiling Point: 386.3 °C at 760 mmHg
Flash Point: 187.4 °C
PSA: 51.80000
LogP: 2.60020
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Specification

The 2-Pyrimidinamine,4,5,6-trichloro- is an organic compound with the formula C4H2Cl3N3. The IUPAC name of this chemical is 4,5,6-Trichloropyrimidin-2-amine. The CAS registry number of this chemical is 51501-53-2. Besides, its molecular weight is 198.4378.

The physical properties of 2-Pyrimidinamine,4,5,6-trichloro- are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 6.01; (5)ACD/BCF (pH 7.4): 6.01; (6)ACD/KOC (pH 5.5): 125.62; (7)ACD/KOC (pH 7.4): 125.62; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 29.02 Å2; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 41.35 cm3; (13)Molar Volume: 114 cm3; (14)Polarizability: 16.39×10-24 cm3; (15)Surface Tension: 69.3 dyne/cm; (16)Density: 1.74 g/cm3; (17)Flash Point: 187.4 °C; (18)Enthalpy of Vaporization: 63.53 kJ/mol; (19)Boiling Point: 386.3 °C at 760 mmHg; (20)Vapour Pressure: 3.57E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(Cl)nc(nc1Cl)N
(2)InChI: InChI=1/C4H2Cl3N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
(3)InChIKey: PQUTUCGOBIRQIH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H2Cl3N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
(5)Std. InChIKey: PQUTUCGOBIRQIH-UHFFFAOYSA-N