6-Bromoisoindolin-1-one supplier

Name
6-Bromoisoindolin-1-one
EINECS
CAS No. 675109-26-9
Article Data15
CAS DataBase
Density 1.666 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNO
Boiling Point 431.694 °C at 760 mmHg
Molecular Weight 212.046
Flash Point 214.881 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-bromo-2,3-dihydro-1H-isoindol-1-one
PSA 29.10000
LogP 2.02130

6-Bromoisoindolin-1-one Specification

The CAS register number of 6-Bromoisoindolin-1-one is 675109-26-9. The systematic name about this chemical is 6-bromo-2,3-dihydro-1H-isoindol-1-one. The molecular formula about this chemical is C₈H₆BrNO and the molecular weight is 212.04.

Physical properties about 6-Bromoisoindolin-1-one are: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 123; (7)ACD/KOC (pH 7.4): 123; (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: 68.736 kJ/mol; (17)Boiling Point: 431.694 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2C(=O)NCc2cc1
(2)InChI: InChI=1/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
(3)InChIKey: HYTCKZQYVIURAW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
(5)Std. InChIKey: HYTCKZQYVIURAW-UHFFFAOYSA-N

Product Name

6-Bromoisoindolin-1-one

6-Bromoisoindolin-1-one Specification

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