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| CAS No.: | 51230-49-0 |
|---|---|
| Name: | 2-Chlorodibenzofuran |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C12H7ClO |
| Molecular Weight: | 202.64 |
| Synonyms: | 2-Chlorodibenzofuran;2-Monochlorodibenzofuran;PCDF 2; |
| Density: | 1.329 g/cm3 |
| Melting Point: | 100℃ |
| Boiling Point: | 323 °C at 760 mmHg |
| Flash Point: | 149.1 °C |
| PSA: | 13.14000 |
| LogP: | 4.23940 |
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Specification
The 2-Chlorodibenzofuran, with the CAS registry number 51230-49-0, is also known as 2-Monochlorodibenzofuran. This chemical's molecular formula is C12H7ClO and molecular weight is 202.6364. What's more, its IUPAC name is 2-Chlorodibenzofuran.
Physical properties about 2-Chlorodibenzofuran are: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2067.53; (6)ACD/BCF (pH 7.4): 2067.53; (7)ACD/KOC (pH 5.5): 8218.58; (8)ACD/KOC (pH 7.4): 8218.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 59.13 cm3; (15)Molar Volume: 152.4 cm3; (16)Polarizability: 23.44×10-24 cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.329 g/cm3; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 54.24 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.000509 mmHg at 25 °C.
Preparation of 2-Chlorodibenzofuran: this chemical is prepared by 2-(4-Chlorophenoxy)benzenediazonium tetrafluoroborate. This reaction needs reagent SnCl2*2H2O and solvent H2O by heating for 15min. The yield is 81 %. And the reaction equation is as followed:
Use of 2-Chlorodibenzofuran: it is used to produce other chemicals. For example, it is used to produce Dibenzofuran. The reaction occurs with reagent tetraethylammonium bromide (TEAB) and solvent methanol. The yield is 80 %. And the reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c3ccccc3oc1cc2
(2) InChI: InChI=1/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
(3) InChIKey: PRKTYWJFCODJOA-UHFFFAOYAW