1(3H)-Isobenzofuranone,4-bromo- supplier

Name
4-BROMO-2-BENZOFURAN-1(3H)-ONE
EINECS 200-589-5
CAS No. 102308-43-0
Article Data4
CAS DataBase
Density 1.743 g/cm³
Solubility
Melting Point 103-104 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Formula C₈H₅BrO₂
Boiling Point 378.209 °C at 760 mmHg
Molecular Weight 213.03
Flash Point 182.534 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalide,4-bromo- (6CI);4-Bromo-2-benzofuran-1(3H)-one;4-Bromo-3H-isobenzofuran-1-one;
PSA 26.30000
LogP 2.11950

1(3H)-Isobenzofuranone,4-bromo- Specification

The 1(3H)-Isobenzofuranone,4-bromo-, with the CAS registry number 102308-43-0, is also known as 4-Bromo-2-benzofuran-1(3H)-one. This chemical's molecular formula is C₈H₅BrO₂ and molecular weight is 213.03. What's more, its IUPAC name is 4-bromo-3H-2-benzofuran-1-one.

Physical properties of 1(3H)-Isobenzofuranone,4-bromo- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 148; (8)ACD/KOC (pH 7.4): 148; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 43.241 cm³; (15)Molar Volume: 122.25 cm³; (16)Polarizability: 17.142×10^-24cm³; (17)Surface Tension: 52.465 dyne/cm; (18)Density: 1.743 g/cm³; (19)Flash Point: 182.534 °C; (20)Enthalpy of Vaporization: 62.607 kJ/mol; (21)Boiling Point: 378.209 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2=C(C=CC=C2Br)C(=O)O1
(2)InChI: InChI=1S/C8H5BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2
(3)InChIKey: MACJSJRQNWAGJM-UHFFFAOYSA-N

Product Name

4-BROMO-2-BENZOFURAN-1(3H)-ONE

1(3H)-Isobenzofuranone,4-bromo- Specification

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