5-Chloroisoindolin-1-one supplier

Name
5-Chloroisoindolin-1-one
EINECS
CAS No. 74572-29-5
Article Data3
CAS DataBase
Density 1.362 g/cm³
Solubility
Melting Point
Formula C₈H₆ClNO
Boiling Point 436.5 °C at 760 mmHg
Molecular Weight 167.595
Flash Point 217.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-2,3-dihydro-1H-isoindol-1-one;
PSA 29.10000
LogP 1.91220

5-Chloroisoindolin-1-one Specification

The 5-Chloroisoindolin-1-one, with the CAS registry number 74572-29-5, is also known as 5-Chloro-2, 3-dihydro-1H-isoindol-1-one. This chemical's molecular formula is C₈H₆ClNO and molecular weight is 167.59. What's more, its IUPAC name is 5-Chloro-2, 3-dihydroisoindol-1-one.

Physical properties about 5-Chloroisoindolin-1-one are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 2.77; (7)ACD/KOC (pH 5.5): 72.2; (8)ACD/KOC (pH 7.4): 72.2; (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: 1.601; (14)Molar Refractivity: 42.18 cm³; (15)Molar Volume: 123 cm³; (16)Polarizability: 16.72×10^-24 cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 217.8 °C; (20)Enthalpy of Vaporization: 69.3 kJ/mol; (21)Boiling Point: 436.5 °C at 760 mmHg; (22)Vapour Pressure: 8.03E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2C(=O)NCc2c1
(2) InChI: InChI=1/C8H6ClNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
(3) InChIKey: PSKBCTAXSVTOTA-UHFFFAOYAI

Product Name

5-Chloroisoindolin-1-one

5-Chloroisoindolin-1-one Specification

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