5-Bromo-1H-indol-3-amine supplier

Name
5-Bromo-1H-indol-3-amine
EINECS
CAS No. 69343-99-3
Article Data3
CAS DataBase
Density 1.754 g/cm³
Solubility
Melting Point 255-257 °C(Solv: benzene (71-43-2))
Formula C₈H₇BrN₂
Boiling Point 410.064 °C at 760 mmHg
Molecular Weight 211.06
Flash Point 201.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-1H-indol-3-amine
PSA 41.81000
LogP 3.09380

5-Bromo-1H-indol-3-amine 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.

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

Product Name

5-Bromo-1H-indol-3-amine

5-Bromo-1H-indol-3-amine Specification

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