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CAS No.: | 10480-34-9 |
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Name: | 4-Bromo-N-(2-chlorobenzylidene)aniline |
Molecular Structure: | |
Formula: | C13H9BrClN |
Molecular Weight: | 294.58 |
Synonyms: | Benzenamine, 4-bromo-N-[(1E)-(2-chlorophenyl)methylene]-; |
Density: | 1.39 g/cm3 |
Boiling Point: | 390.6 °C at 760 mmHg |
Flash Point: | 190 °C |
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The 4-Bromo-N-(2-chlorobenzylidene)aniline, with the CAS registry number of 10480-34-9, is also known as Benzenamine, 4-bromo-N-[(1E)-(2-chlorophenyl)methylene]-. Its molecular formula is C13H9BrClN and molecular weight is 294.5743. What's more, its systematic name is 4-Bromo-N-[(E)-(2-chlorophenyl)methylidene]aniline.
Physical properties about the 4-Bromo-N-(2-chlorobenzylidene)aniline are: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.36 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 72.56 cm3; (9)Molar Volume: 211.4 cm3; (10)Surface Tension: 42.1 dyne/cm; (11)Density: 1.39 g/cm3; (12)Flash Point: 190 °C; (13)Enthalpy of Vaporization: 61.51 kJ/mol; (14)Boiling Point: 390.6 °C at 760 mmHg; (15)Vapour Pressure: 5.9E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(/N=C/c1ccccc1Cl)cc2
(2) InChI: InChI=1/C13H9BrClN/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15/h1-9H/b16-9+
(3) InChIKey: WVTOIXOAFYERPY-CXUHLZMHBN