4H-1,3-Benzodioxin,7-bromo- supplier

Name
7-BROMO-4H-1,3-BENZODIOXINE
EINECS
CAS No. 499770-95-5
Density 1.598 g/cm³
Solubility
Melting Point 49 °C
Formula C₈H₇BrO₂
Boiling Point 284.9 °C at 760 mmHg
Molecular Weight 215.04
Flash Point 137.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 7-BROMO-4H-1,3-BENZODIOXINE;7-Bromo-4H-1,3-benzodioxine 95%
PSA 18.46000
LogP 2.31560

4H-1,3-Benzodioxin,7-bromo- Specification

The 4H-1,3-Benzodioxin,7-bromo- is an organic compound with the formula C₈H₇BrO₂. The systematic name of this chemical is 7-bromo-4H-1,3-benzodioxine. With the CAS registry number 499770-95-5, it is also named as 7-bromo-2H,4H-benzo[e]1,3-dioxin.

Physical properties about 4H-1,3-Benzodioxin,7-bromo- are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.22; (4)ACD/BCF (pH 5.5): 28.81; (5)ACD/BCF (pH 7.4): 28.81; (6)ACD/KOC (pH 5.5): 385.75; (7)ACD/KOC (pH 7.4): 385.75; (8)#H bond acceptors: 2; (9)Polar Surface Area: 18.46 Å²; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 44.71 cm³; (12)Molar Volume: 134.5 cm³; (13)Polarizability: 17.72×10^-24cm³; (14)Surface Tension: 47.4 dyne/cm; (15)Density: 1.598 g/cm³; (16)Flash Point: 137.1 °C; (17)Enthalpy of Vaporization: 50.29 kJ/mol; (18)Boiling Point: 284.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00497 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1c(OCOC1)c2
(2)InChI: InChI=1/C8H7BrO2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-3H,4-5H2
(3)InChIKey: QUGBTFFUNSJJFL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H7BrO2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-3H,4-5H2
(5)Std. InChIKey: QUGBTFFUNSJJFL-UHFFFAOYSA-N

Product Name

7-BROMO-4H-1,3-BENZODIOXINE

4H-1,3-Benzodioxin,7-bromo- Specification

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