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4583-55-5

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Basic Information
CAS No.: 4583-55-5
Name: 5-Bromo-2,3-dimethylindole
Article Data: 27
Molecular Structure:
Molecular Structure of 4583-55-5 (5-Bromo-2,3-dimethylindole)
Formula: C10H10BrN
Molecular Weight: 224.1
Synonyms: 1H-Indole, 5-bromo-2,3-dimethyl-; 5-Bromo-2,3-dimethylindole
Density: 1.488 g/cm3
Melting Point: 136-137 °C
Boiling Point: 340.35 °C at 760 mmHg
Flash Point: 159.638 °C
PSA: 15.79000
LogP: 3.54720
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Specification

The CAS registry number of 1H-Indole, 5-bromo-2,3-dimethyl- is 4583-55-5. This chemical's molecular formula is C10H10BrN and molecular weight is 224.0971. Its systematic name is called 5-bromo-2,3-dimethyl-1H-indole.

Physical properties of 1H-Indole, 5-bromo-2,3-dimethyl-: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 561; (5)ACD/BCF (pH 7.4): 561; (6)ACD/KOC (pH 5.5): 3233; (7)ACD/KOC (pH 7.4): 3233; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.664; (11)Molar Refractivity: 55.869 cm3; (12)Molar Volume: 150.607 cm3; (13)Surface Tension: 48.037 dyne/cm; (14)Density: 1.488 g/cm3; (15)Flash Point: 159.638 °C; (16)Enthalpy of Vaporization: 56.078 kJ/mol; (17)Boiling Point: 340.35 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)nc(C)c2C
(2)InChI: InChI=1/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
(3)InChIKey: IOGAIEWEHFPGNO-UHFFFAOYAT