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CAS No.: | 1131604-99-3 |
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Name: | 5-bromo-4-chloropyridine-2,3-diamine |
Molecular Structure: | |
Formula: | C5H5BrClN3 |
Molecular Weight: | 222.4703 |
Synonyms: | TC-010216; |
Density: | 1.929 g/cm3 |
Melting Point: | 164℃ |
Boiling Point: | 333.676 °C at 760 mmHg |
Flash Point: | 155.602 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 65.66000 |
LogP: | 2.17320 |
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The 5-Bromo-4-chloro-2,3-pyridinediamine, also known as TC-010216, is an organic compound with the formula C5H5BrClN3. With the CAS registry number 1131604-99-3, its IUPAC name is 5-bromo-4-chloropyridine-2,3-diamine.
Physical properties of 5-Bromo-4-chloro-2,3-pyridinediamine: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 2.3; (3)ACD/LogD (pH 7.4): 2.304; (4)ACD/BCF (pH 5.5): 32.874; (5)ACD/BCF (pH 7.4): 33.197; (6)ACD/KOC (pH 5.5): 422.822; (7)ACD/KOC (pH 7.4): 426.973; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.717; (12)Molar Refractivity: 45.402 cm3; (13)Molar Volume: 115.353 cm3; (14)Surface Tension: 74.99 dyne/cm; (15)Density: 1.929 g/cm3; (16)Flash Point: 155.602 °C; (17)Enthalpy of Vaporization: 57.656 kJ/mol; (18)Boiling Point: 333.676 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=C(C(=N1)N)N)Cl)Br
(2)InChI: InChI=1S/C5H5BrClN3/c6-2-1-10-5(9)4(8)3(2)7/h1H,8H2,(H2,9,10)
(3)InChIKey: IWPLIMBNUFTLIL-UHFFFAOYSA-N