1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl- supplier

Name
5-bromo-2-methylisoindolin-1-one
EINECS
CAS No. 868066-91-5
Article Data15
CAS DataBase
Density 1.589 g/cm³
Solubility
Melting Point
Formula C₉H₈BrNO
Boiling Point 356.2 °C at 760 mmHg
Molecular Weight 226.073
Flash Point 169.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2-methyl-2,3-dihydroisoindol-1-one;1H-isoindol-1-one, 5-bromo-2,3-dihydro-2-methyl-;
PSA 20.31000
LogP 1.97260

1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl- Specification

The 1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl-, with the CAS registry number 868066-91-5, has the systematic name of 5-bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₉H₈BrNO.

The physical properties of 1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl- are as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.13; (6)ACD/BCF (pH 7.4): 3.13; (7)ACD/KOC (pH 5.5): 78.82; (8)ACD/KOC (pH 7.4): 78.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 49.91 cm³; (15)Molar Volume: 142.2 cm³; (16)Polarizability: 19.78×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.589 g/cm³; (19)Flash Point: 169.2 °C; (20)Enthalpy of Vaporization: 60.14 kJ/mol; (21)Boiling Point: 356.2 °C at 760 mmHg; (22)Vapour Pressure: 2.98E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2C(=O)N(C)Cc2c1
(2)InChI: InChI=1/C9H8BrNO/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3
(3)InChIKey: WRFZBWHXIGUNLQ-UHFFFAOYAZ

Product Name

5-bromo-2-methylisoindolin-1-one

1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl- Specification

Related Products

Hot Products