1H-Isoindole,5-bromo-2,3-dihydro-1-methyl- supplier

Name
5-bromo-2,3-dihydro-1-methyl-1H-Isoindole
EINECS
CAS No. 335428-62-1
Article Data8
CAS DataBase
Density 1.407 g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrN
Boiling Point 261.1 °C at 760 mmHg
Molecular Weight 212.089
Flash Point 111.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-1-methylisoindoline;
PSA 12.03000
LogP 2.94210

1H-Isoindole,5-bromo-2,3-dihydro-1-methyl- Specification

The 1H-Isoindole,5-bromo-2,3-dihydro-1-methyl-, with the CAS registry number 335428-62-1, is also known as 5-Bromo-1-methylisoindoline. This chemical's molecular formula is C₉H₁₀BrN and molecular weight is 212.09. What's more, its systematic name is 5-bromo-1-methyl-2,3-dihydro-1H-isoindole.

Physical properties of 1H-Isoindole,5-bromo-2,3-dihydro-1-methyl- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.63; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 21.31; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 12.03 Å²; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 49.56 cm³; (14)Molar Volume: 150.7 cm³; (15)Polarizability: 19.64×10^-24cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.407 g/cm³; (18)Flash Point: 111.7 °C; (19)Enthalpy of Vaporization: 49.88 kJ/mol; (20)Boiling Point: 261.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0118 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2C(C)NCc2c1
(2)Std. InChI: InChI=1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3
(3)Std. InChIKey: KTUCROBKAQWWPX-UHFFFAOYSA-N

Product Name

5-bromo-2,3-dihydro-1-methyl-1H-Isoindole

1H-Isoindole,5-bromo-2,3-dihydro-1-methyl- Specification

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