Products Categories
CAS No.: | 19522-96-4 |
---|---|
Name: | 7-Bromobenzo[1,3]dioxole-5-carbaldehyde |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H5BrO3 |
Molecular Weight: | 229.03 |
Synonyms: | Piperonal,5-bromo- (8CI);3-Bromo-4,5-(methylenedioxy)benzaldehyde;5-Bromopiperonal;1,3-benzodioxole-5-carboxaldehyde, 7-bromo-;7-Bromo-1,3-benzodioxole-5-carbaldehyde;7-Bromo-benzo[1,3]dioxole-5-carbaldehyde; |
Density: | 1.782 g/cm3 |
Boiling Point: | 316.7 °C at 760 mmHg |
Flash Point: | 145.3 °C |
PSA: | 35.53000 |
LogP: | 1.99030 |
What can I do for you?
Get Best Price
The 7-Bromobenzo[1,3]dioxole-5-carbaldehyde, with the CAS registry number 19522-96-4, is also called 1,3-benzodioxole-5-carboxaldehyde, 7-bromo-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H5BrO3.
The characteristics of 7-Bromobenzo[1,3]dioxole-5-carbaldehyde are as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 46.85 cm3; (9)Molar Volume: 128.4 cm3; (10)Polarizability: 18.57×10-24cm3; (11)Surface Tension: 60.4 dyne/cm; (12)Density: 1.782 g/cm3; (13)Flash Point: 145.3 °C; (14)Enthalpy of Vaporization: 55.81 kJ/mol; (15)Boiling Point: 316.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000403 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc2OCOc2c(Br)c1
(2)InChI: InChI=1/C8H5BrO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2
(3)InChIKey: LFWAGNRBILVLBC-UHFFFAOYAA