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5-Bromo-4-chloro-2,3-pyridinediamine

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Name

5-Bromo-4-chloro-2,3-pyridinediamine

EINECS N/A
CAS No. 1131604-99-3 Density 1.929 g/cm3
PSA 65.66000 LogP 2.17320
Solubility N/A Melting Point 164℃
Formula C5H5BrClN3 Boiling Point 333.676 °C at 760 mmHg
Molecular Weight 222.4703 Flash Point 155.602 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 1131604-99-3 (5-bromo-4-chloropyridine-2,3-diamine) Hazard Symbols T
Synonyms

TC-010216;

 

5-Bromo-4-chloro-2,3-pyridinediamine Specification

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

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