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4,6-Dibromo-2-pyrimidinamine

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Name

4,6-Dibromo-2-pyrimidinamine

EINECS 205-525-8
CAS No. 856973-26-7 Density 2.287 g/cm3
PSA 51.80000 LogP 2.16500
Solubility N/A Melting Point 190-193ºC
Formula C4H3Br2N3 Boiling Point 391.2 °C at 760 mmHg
Molecular Weight 252.89472 Flash Point 190.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 856973-26-7 (2-AMINO-4,6-DIBROMOPYRIMIDINE) Hazard Symbols N/A
Synonyms

Pyrimidine,2-amino-4,6-dibromo- (5CI);2-Amino-4,6-dibromopyrimidine;

 

4,6-Dibromo-2-pyrimidinamine Specification

The CAS register number of 4,6-Dibromo-2-pyrimidinamine is 856973-26-7. It also can be called as 2-Amino-4,6-dibromopyrimidine and the systematic name about this chemical is 4,6-dibromopyrimidin-2-amine. The molecular formula about this chemical is C4H3Br2N3 and the molecular weight is 252.89472.

Physical properties about 4,6-Dibromo-2-pyrimidinamine are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.39; (5)ACD/BCF (pH 7.4): 11.39; (6)ACD/KOC (pH 5.5): 198.55; (7)ACD/KOC (pH 7.4): 198.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 51.8 Å2; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 42.05 cm3; (13)Molar Volume: 110.5 cm3; (14)Polarizability: 16.67x10-24cm3; (15)Surface Tension: 72.3 dyne/cm; (16)Density: 2.287 g/cm3; (17)Flash Point: 190.4 °C; (18)Enthalpy of Vaporization: 64.08 kJ/mol; (19)Boiling Point: 391.2 °C at 760 mmHg; (20)Vapour Pressure: 2.5E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)nc(N)n1
(2)InChI: InChI=1/C4H3Br2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
(3)InChIKey: SJGGFMZIJOFJAA-UHFFFAOYAN

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