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CAS No.: | 64085-52-5 |
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Name: | 5-BROMO-2-IODOANILINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H5BrIN |
Molecular Weight: | 297.921 |
Synonyms: | 5-Bromo-2-iodoaniline; |
Density: | 2.292 g/cm3 |
Melting Point: | 55 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7)) |
Boiling Point: | 309.522 °C at 760 mmHg |
Flash Point: | 140.994 °C |
PSA: | 26.02000 |
LogP: | 3.21710 |
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This chemical is called Benzenamine, 5-bromo-2-iodo-, and its systematic name is 5-Bromo-2-iodoaniline. With the molecular formula of C6H5BrIN, its molecular weight is 297.92. The CAS registry number of this chemical is 64085-52-5. Additionally, its product categories are Anilines, Amides & Amines; Bromine Compounds; Iodine Compounds.
Other characteristics of the Benzenamine, 5-bromo-2-iodo- can be summarised as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 222; (6)ACD/BCF (pH 7.4): 222; (7)ACD/KOC (pH 5.5): 1662; (8)ACD/KOC (pH 7.4): 1662; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 51.086 cm3; (15)Molar Volume: 129.971 cm3; (16)Polarizability: 20.252×10-24cm3; (17)Surface Tension: 58.347 dyne/cm; (18)Density: 2.292 g/cm3; (19)Flash Point: 140.994 °C; (20)Enthalpy of Vaporization: 55.028 kJ/mol; (21)Boiling Point: 309.522 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1cc(Br)ccc1I
2.InChI: InChI=1/C6H5BrIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
3.InChIKey: KISIGYZVSJKAEK-UHFFFAOYAM