7-Bromobenzo[1,3]dioxole-5-carbaldehyde supplier

Name
7-Bromobenzo[1,3]dioxole-5-carbaldehyde
EINECS
CAS No. 19522-96-4
Article Data11
CAS DataBase
Density 1.782 g/cm³
Solubility
Melting Point
Formula C₈H₅BrO₃
Boiling Point 316.7 °C at 760 mmHg
Molecular Weight 229.03
Flash Point 145.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 35.53000
LogP 1.99030

7-Bromobenzo[1,3]dioxole-5-carbaldehyde Specification

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

Product Name

7-Bromobenzo[1,3]dioxole-5-carbaldehyde

7-Bromobenzo[1,3]dioxole-5-carbaldehyde Specification

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