1H-Isoindol-1-one,2,3-dihydro-7-iodo- supplier

Name
7-Iodo-2,3-dihydro-isoindol-1-one
EINECS
CAS No. 866766-96-3
Article Data2
CAS DataBase
Density 1.946 g/cm³
Solubility
Melting Point
Formula C₈H₆INO
Boiling Point 467.082 °C at 760 mmHg
Molecular Weight 259.046
Flash Point 236.283 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Iodoisoindolinone;
PSA 29.10000
LogP 1.86340

1H-Isoindol-1-one,2,3-dihydro-7-iodo- Specification

The 1H-Isoindol-1-one, 2, 3-dihydro-7-iodo-, with the CAS registry number of 866766-96-3, is also known as 7-Iodoisoindolinone. It belongs to the product category of Pharmaceutical Intermediate. This chemical's molecular formula is C₈H₆INO and molecular weight is 259.0438. What's more, its systematic name is called 7-Iodoisoindolin-1-one.

Physical properties about 1H-Isoindol-1-one, 2, 3-dihydro-7-iodo- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.827; (4)ACD/LogD (pH 7.4): 0.827; (5)ACD/BCF (pH 5.5): 2.502; (6)ACD/BCF (pH 7.4): 2.502; (7)ACD/KOC (pH 5.5): 67.108; (8)ACD/KOC (pH 7.4): 67.108; (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: 1.678; (14)Molar Refractivity: 50.201 cm³; (15)Molar Volume: 133.128 cm³; (16)Polarizability: 19.901×10^-24 cm³; (17)Surface Tension: 53.367 dyne/cm; (18)Density: 1.946 g/cm³; (19)Flash Point: 236.283 °C; (20)Enthalpy of Vaporization: 72.9 kJ/mol; (21)Boiling Point: 467.082 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(c1)I)C(=O)NC2
(2) InChI: InChI=1/C8H6INO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
(3) InChIKey: QFKGKJNTMJUXMO-UHFFFAOYAL

Product Name

7-Iodo-2,3-dihydro-isoindol-1-one

1H-Isoindol-1-one,2,3-dihydro-7-iodo- Specification

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