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CAS No.: | 6264-69-3 |
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Name: | 4-Bromo-1,3-phenylenediamine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H7BrN2 |
Molecular Weight: | 187.04 |
Synonyms: | 4-Bromo-1,3-phenylenediamine; |
Density: | 1.697 g/cm3 |
Boiling Point: | 298.8 °C at 760 mmHg |
Flash Point: | 134.5 °C |
PSA: | 52.04000 |
LogP: | 2.77590 |
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The 4-Bromobenzene-1,3-diamine, with the CAS registry number of 6264-69-3, is also known as 4-Bromo-1,3-phenylenediamine. This chemical's molecular formula is C6H7BrN2 and molecular weight is 187.037180.
Physical properties about the 4-Bromobenzene-1,3-diamine are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 42.41 cm3; (9)Molar Volume: 110.1 cm3; (10)Surface Tension: 62.2 dyne/cm; (11)Density: 1.697 g/cm3; (12)Flash Point: 134.5 °C; (13)Enthalpy of Vaporization: 53.88 kJ/mol; (14)Boiling Point: 298.8 °C at 760 mmHg; (15)Vapour Pressure: 0.00124 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(N)cc1N
(2) InChI: InChI=1/C6H7BrN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2
(3) InChIKey: HQDCQNCMUSAKQU-UHFFFAOYAO