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CAS No.: | 63839-24-7 |
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Name: | 6-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H8BrN |
Molecular Weight: | 198.062 |
Synonyms: | 6-Bromoindoline;6-Bromo-2,3-dihydro-1H-indole hydrochloride; |
Density: | 1.515 g/cm3 |
Boiling Point: | 266.325 °C at 760 mmHg |
Flash Point: | 114.869 °C |
Hazard Symbols: | T |
Risk Codes: | 25-51/53-36/37/38 |
Safety: | 45-61-36-26 |
PSA: | 12.03000 |
LogP: | 2.55510 |
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The 6-Bromoindoline, with the CAS registry number 63839-24-7, belongs to the product category of Indoline & Oxindole. This chemical's molecular formula is C8H8BrN and molecular weight is 198.0598. Its systematic name is called 6-bromo-2,3-dihydro-1H-indole.
Physical properties of 6-Bromoindoline: (1)ACD/LogP: 2.71; (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): 79; (6)ACD/BCF (pH 7.4): 84; (7)ACD/KOC (pH 5.5): 780; (8)ACD/KOC (pH 7.4): 827; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 44.854 cm3; (14)Molar Volume: 130.742 cm3; (15)Surface Tension: 44.02 dyne/cm; (16)Density: 1.515 g/cm3; (17)Flash Point: 114.869 °C; (18)Enthalpy of Vaporization: 50.43 kJ/mol; (19)Boiling Point: 266.325 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C.
Uses of 6-Bromoindoline: it can be used to produce 4-(6-bromo-2,3-dihydro-indol-1-yl)-6-nitro-quinazoline. This reaction will need reagent N,N-dimethylaniline and solvent propan-2-ol with reaction time of 1 hour. The yield is about 32%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2CCNc2c1
(2)InChI: InChI=1/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
(3)InChIKey: MTSYZAHZABCWMS-UHFFFAOYAM