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Name |
1,3-Benzodioxole-5-carboxylicacid, 7-bromo- |
EINECS | N/A |
CAS No. | 66799-93-7 | Density | 1.894 g/cm3 |
PSA | 55.76000 | LogP | 1.87600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrO4 | Boiling Point | 373.6 °C at 760 mmHg |
Molecular Weight | 245.029 | Flash Point | 179.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromopiperonylicacid; |
Article Data | 2 |
The 1,3-Benzodioxole-5-carboxylicacid, 7-bromo-, with the CAS registry number 66799-93-7, is also known as 7-Bromo-2H-benzo[d]1,3-dioxolane-5-carboxylic acid. This chemical's molecular formula is C8H5BrO4 and molecular weight is 245.0269. Its systematic name is called 7-bromo-1,3-benzodioxole-5-carboxylic acid.
Physical properties of 1,3-Benzodioxole-5-carboxylicacid, 7-bromo-: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): -0.18; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 47.03 cm3; (13)Molar Volume: 129.3 cm3; (14)Surface Tension: 70.8 dyne/cm; (15)Density: 1.894 g/cm3; (16)Flash Point: 179.7 °C; (17)Enthalpy of Vaporization: 65.5 kJ/mol; (18)Boiling Point: 373.6 °C at 760 mmHg; (19)Vapour Pressure: 3.04E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc2OCOc2c(Br)c1
(2)InChI: InChI=1/C8H5BrO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)
(3)InChIKey: HLQBEIBAXJNCPT-UHFFFAOYAC