5-Bromo-2,3-dihydroisoindol-1-one supplier

Name
5-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE
EINECS
CAS No. 552330-86-6
Article Data24
CAS DataBase
Density 1.666 g/cm³
Solubility
Melting Point 267 °C
Formula C₈H₆BrNO
Boiling Point 448.367 °C at 760 mmHg
Molecular Weight 212.046
Flash Point 224.965 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-isoindol-1-one, 5-bromo-2,3-dihydro-;5-bromoisoindolin-1-one;
PSA 29.10000
LogP 2.02130

5-Bromo-2,3-dihydroisoindol-1-one Specification

The 5-Bromo-2,3-dihydroisoindol-1-one, with the CAS registry number 552330-86-6, is also called 1H-isoindol-1-one, 5-bromo-2,3-dihydro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₆BrNO.

The characteristics of 5-Bromo-2,3-dihydroisoindol-1-one are as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 90; (8)ACD/KOC (pH 7.4): 90; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 44.984 cm³; (15)Molar Volume: 127.24 cm³; (16)Polarizability: 17.833×10^-24cm³; (17)Surface Tension: 49.168 dyne/cm; (18)Density: 1.666 g/cm³; (19)Flash Point: 224.965 °C; (20)Enthalpy of Vaporization: 70.687 kJ/mol; (21)Boiling Point: 448.367 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2C(=O)NCc2c1
(2)InChI: InChI=1/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
(3)InChIKey: WJNKJYJCWXMBNV-UHFFFAOYAP

Product Name

5-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE

5-Bromo-2,3-dihydroisoindol-1-one Specification

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