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| CAS No.: | 69343-99-3 |
|---|---|
| Name: | 5-Bromo-1H-indol-3-amine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7BrN2 |
| Molecular Weight: | 211.06 |
| Synonyms: | 5-bromo-1H-indol-3-amine |
| Density: | 1.754 g/cm3 |
| Melting Point: | 255-257 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 410.064 °C at 760 mmHg |
| Flash Point: | 201.8 °C |
| PSA: | 41.81000 |
| LogP: | 3.09380 |
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- Total:20 Page 1 of 1 1
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Specification
The 5-Bromo-1H-indol-3-amine, with the CAS registry number 69343-99-3, is also known as 1H-Indol-3-amine, 5-bromo-. This chemical's molecular formula is C8H7BrN2 and molecular weight is 211.0586. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-1H-indol-3-amine.
Physical properties about this chemical are: (1)ACD/LogP: 1.75; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.746; (5)ACD/BCF (pH 5.5): 10.727; (6)ACD/BCF (pH 7.4): 12.496; (7)ACD/KOC (pH 5.5): 182.031; (8)ACD/KOC (pH 7.4): 212.05; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81Å2; (13)Index of Refraction: 1.779; (14)Molar Refractivity: 50.455 cm3; (15)Molar Volume: 120.337 cm3; (16)Surface Tension: 69.172 dyne/cm; (17)Density: 1.754 g/cm3; (18)Flash Point: 201.8 °C; (19)Enthalpy of Vaporization: 66.234 kJ/mol; (20)Boiling Point: 410.064 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 3-Amino-5-bromoindole: this chemical can be prepared by 5-Bromo-3-nitroso-1H-indole.
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The reaction occurs with reagent Na2S2O4, NaOH and other condition of heating for 4 hours. The yield is 77 %.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1Br)c(c[nH]2)N
(2) InChI: InChI=1/C8H7BrN2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H,10H2
(3) InChIKey: SONHFBNXEWKXMN-UHFFFAOYAP