1(3H)-Isobenzofuranone, 6-chloro- supplier

Name
6-CHLORO-3 H-ISOBENZOFURAN-1-ONE
EINECS
CAS No. 19641-29-3
Density 1.428 g/cm³
Solubility
Melting Point 112 °C
Formula C₈H₅ClO₂
Boiling Point 348.3 °C at 760 mmHg
Molecular Weight 168.579
Flash Point 194.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Chloro-3H-2-benzofuran-1-one;
PSA 26.30000
LogP 2.01040

1(3H)-Isobenzofuranone, 6-chloro- Specification

The 1(3H)-Isobenzofuranone, 6-chloro-, with the CAS registry number 19641-29-3, is also known as 6-Chloro-2-benzofuran-1(3H)-one. This chemical's molecular formula is C₈H₅ClO₂ and molecular weight is 168.58. What's more, its IUPAC name is called 6-Chloro-3H-2-benzofuran-1-one.

Physical properties about 1(3H)-Isobenzofuranone, 6-chloro- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 40.44 cm³; (9)Molar Volume: 118 cm³; (10)Surface Tension: 50.8 dyne/cm; (11)Density: 1.428 g/cm³; (12)Flash Point: 194.5 °C; (13)Enthalpy of Vaporization: 59.26 kJ/mol; (14)Boiling Point: 348.3 °C at 760 mmHg; (15)Vapour Pressure: 5.09E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2C(=O)OCc2cc1
(2) InChI: InChI=1S/C8H5ClO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
(3) InChIKey: NUAVXUHBPNMQEV-UHFFFAOYSA-N

Product Name

6-CHLORO-3 H-ISOBENZOFURAN-1-ONE

1(3H)-Isobenzofuranone, 6-chloro- Specification

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