Products Categories
CAS No.: | 19477-73-7 |
---|---|
Name: | 6-BROMO-3 H-ISOBENZOFURAN-1-ONE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H5BrO2 |
Molecular Weight: | 213.03 |
Synonyms: | Phthalide,6-bromo- (8CI);6-Bromo-1,3-dihydro-1-isobenzofuranone;6-Bromo-3H-isobenzofuran-1-one;6-Bromophthalide;NSC 95680; |
Density: | 1.743g/cm3 |
Melting Point: | 99.5 °C |
Boiling Point: | 362.44 °C at 760 mmHg |
Flash Point: | 172.998 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 2.11950 |
What can I do for you?
Get Best Price
The 6-Bromo-3H-isobenzofuran-1-one with the CAS number 19477-73-7 is also called 1(3H)-Isobenzofuranone,6-bromo-. The systematic name is 6-bromo-2-benzofuran-1(3H)-one. Its molecular formula is C8H5BrO2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 6-Bromo-3H-isobenzofuran-1-one are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.506; (4)ACD/LogD (pH 7.4): 1.506; (5)ACD/BCF (pH 5.5): 8.216; (6)ACD/BCF (pH 7.4): 8.216; (7)ACD/KOC (pH 5.5): 157.159; (8)ACD/KOC (pH 7.4): 157.159; (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)Enthalpy of Vaporization: 60.839 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)C(=O)OC2
(2)InChI: InChI=1/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
(3)InChIKey: BELKVKMBIAENSA-UHFFFAOYAO