3(2H)-Benzofuranone,7-iodo- supplier

Name
7-Iodo-3(2H)-benzofuranone
EINECS
CAS No. 20143-57-1
Density 2.029 g/cm³
Solubility
Melting Point
Formula C₈H₅IO₂
Boiling Point 342.928 °C at 760 mmHg
Molecular Weight 260.0286
Flash Point 161.197 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Iodo-3(2H)-benzofuranone;7-Nitro-3-Benzofuranone;7-Iodobenzofuran-3(2H)-one
PSA 26.30000
LogP 1.86630

3(2H)-Benzofuranone,7-iodo- Specification

The 3(2H)-Benzofuranone,7-iodo- with CAS registry number of 20143-57-1 is also named 7-Nitro-3-benzofuranonee. The systematic name is 7-Iodobenzofuran-3-one. In addition, the formula is C₈H₅IO₂ and the molecular weight is 260.0286.

Physical properties about 3(2H)-Benzofuranone,7-iodo- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.872; (4)ACD/LogD (pH 7.4): 2.872; (5)ACD/BCF (pH 5.5): 89.733; (6)ACD/BCF (pH 7.4): 89.733; (7)ACD/KOC (pH 5.5): 870.03; (8)ACD/KOC (pH 7.4): 870.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 48.458 cm³; (15)Molar Volume: 128.138 cm³; (16)Polarizability: 19.21×10^-24cm³; (17)Surface Tension: 56.883 dyne/cm; (18)Density: 2.029 g/cm³; (19)Flash Point: 161.197 °C; (20)Enthalpy of Vaporization: 58.674 kJ/mol; (21)Boiling Point: 342.928 °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)OCC2=O
2. InChI: InChI=1/C8H5IO2/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3H,4H2
3. InChIKey: YHVGJABRPNYHGU-UHFFFAOYAT
4. Std.InChI: InChI=1S/C8H5IO2/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3H,4H2
5. Std. InChIKey: YHVGJABRPNYHGU-UHFFFAOYSA-N

Product Name

7-Iodo-3(2H)-benzofuranone

3(2H)-Benzofuranone,7-iodo- Specification

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