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| CAS No.: | 17789-14-9 |
|---|---|
| Name: | 2-(3-BROMOPHENYL)-1,3-DIOXOLANE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H9BrO2 |
| Molecular Weight: | 229.073 |
| Synonyms: | 1,3-Dioxolane,2-(m-bromophenyl)- (8CI);2-(3-Bromophenyl)dioxolane;3-(1,3-Dioxolan-2-yl)phenyl bromide;3-Bromobenzaldehyde ethylene acetal;m-Bromobenzaldehyde ethylene acetal; |
| EINECS: | 241-766-8 |
| Density: | 1.515 g/cm3 |
| Boiling Point: | 278.509 °C at 760 mmHg |
| Flash Point: | 130.337 °C |
| Safety: | 24/25 |
| PSA: | 18.46000 |
| LogP: | 2.49450 |
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Specification
The 2-(3-Bromophenyl)-1,3-dioxolane with cas registry number of 17789-14-9, belongs to the following product categories: (1)Benzaldehyde; (2)Adehydes, Acetals & Ketones; (3)Bromine Compounds; (4)Dioxanes & Dioxolanes; (5)Dioxolanes; (6)Acetals/Ketals/Ortho Esters; (7)Organic Building Blocks; (8)Oxygen Compounds. And it has the systematic name of 2-(3-bromophenyl)-1,3-dioxolane.
Physical properties about this chemical are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.19; (6)ACD/BCF (pH 7.4): 39.19; (7)ACD/KOC (pH 5.5): 480.87; (8)ACD/KOC (pH 7.4): 480.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 49.18 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 19.49×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Enthalpy of Vaporization: 49.63 kJ/mol; (19)Vapour Pressure: 0.00718 mmHg at 25°C.
Uses of 2-(3-Bromophenyl)-1,3-dioxolane: it can be used to produce m-(1,3-Dioxolan-2-yl)benzaldehyd. The yield is about 79%.
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When you are using this chemical, please be cautious about it as the following: avoid contact with skin and eyes. The refractive index of this chemical is 1.563.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)C2OCCO2;
(2)InChI: InChI=1/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2;
(3)InChIKey: VYPYKCPWNPPBBX-UHFFFAOYAK;
(4)Std. InChI: InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2;
(5)Std. InChIKey: VYPYKCPWNPPBBX-UHFFFAOYSA-N