Basic Information | Post buying leads | Suppliers |
Name |
1,3-Benzodioxol-5-ol,6-bromo-, 5-benzoate |
EINECS | N/A |
CAS No. | 6936-58-9 | Density | 1.603 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H9BrO4 | Boiling Point | 456.9 °C at 760 mmHg |
Molecular Weight | 321.127 | Flash Point | 230.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Benzodioxol-5-ol,6-bromo-, benzoate (9CI);Phenol, 2-bromo-4,5-methylenedioxy-, benzoate (6CI);NSC 22580;6-Bromo-1,3-benzodioxol-5-yl benzoate; |
The 1,3-Benzodioxol-5-ol,6-bromo-, 5-benzoate, with the CAS registry number 6936-58-9, is also known as Phenol, 2-bromo-4,5-methylenedioxy-, benzoate (6CI). This chemical's molecular formula is C14H9BrO4 and molecular weight is 321.12. What's more, its systematic name is 6-Bromo-1,3-benzodioxol-5-yl benzoate.
Physical properties of 1,3-Benzodioxol-5-ol,6-bromo-, 5-benzoate are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.635; (8)Molar Refractivity: 71.74 cm3; (9)Molar Volume: 200.2 cm3; (10)Polarizability: 28.44×10-24 cm3; (11)Surface Tension: 57.1 dyne/cm; (12)Density: 1.603 g/cm3; (13)Flash Point: 230.2 °C; (14)Enthalpy of Vaporization: 71.7 kJ/mol; (15)Boiling Point: 456.9 °C at 760 mmHg; (16)Vapour Pressure: 1.55E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc2OCOc2cc1Br)c3ccccc3
(2)InChI: InChI=1S/C14H9BrO4/c15-10-6-12-13(18-8-17-12)7-11(10)19-14(16)9-4-2-1-3-5-9/h1-7H,8H2
(3)InChIKey: JEIDGPDHDMIOBQ-UHFFFAOYSA-N