Basic Information | Post buying leads | Suppliers |
Name |
1(3H)-Isobenzofuranone, 6-chloro- |
EINECS | N/A |
CAS No. | 19641-29-3 | Density | 1.428 g/cm3 |
PSA | 26.30000 | LogP | 2.01040 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
6-Chloro-3H-2-benzofuran-1-one; |
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