Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Bromo-2,3-dihydro-isoindol-1-one |
EINECS | N/A |
CAS No. | 200049-46-3 | Density | 1.666 g/cm3 |
PSA | 29.10000 | LogP | 2.02130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6BrNO | Boiling Point | 452.172 °C at 760 mmHg |
Molecular Weight | 212.046 | Flash Point | 227.266 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Bromo-2,3-dihydro-isoindol-1-one;1H-Isoindol-1-one, 7-broMo-2,3-dihydro-;7-broMo-2,3-dihydro-1H-isoindol-1-one |
Article Data | 3 |
The CAS register number of 7-Bromo-2,3-dihydro-isoindol-1-one is 200049-46-3. The systematic name about this chemical is 7-bromo-2,3-dihydro-1H-isoindol-1-one. The molecular formula about this chemical is C8H6BrNO and the molecular weight is 212.0433. It belongs to the Pharmaceutical intermediate.
Physical properties about 7-Bromo-2,3-dihydro-isoindol-1-one are: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 90; (7)ACD/KOC (pH 7.4): 90; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 44.984 cm3; (13)Molar Volume: 127.24 cm3; (14)Polarizability: 17.833x10-24cm3; (15)Surface Tension: 49.168 dyne/cm; (16)Enthalpy of Vaporization: 71.135 kJ/mol; (17)Boiling Point: 452.172 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc2CNC(=O)c12
(2)InChI: InChI=1/C8H6BrNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
(3)InChIKey: XTWPGJGLJLJZHW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6BrNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
(5)Std. InChIKey: XTWPGJGLJLJZHW-UHFFFAOYSA-N