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CAS No.: | 86-76-0 |
---|---|
Name: | 2-Bromodibenzofuran |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C12H7BrO |
Molecular Weight: | 247.091 |
Synonyms: | 2-Bromodibenzofuran;NSC 1735; |
EINECS: | 659-733-5 |
Density: | 1.35 g/cm3 |
Melting Point: | 121-122℃ |
Boiling Point: | 343.8 °C at 760 mmHg |
Flash Point: | 161.7 °C |
Risk Codes: | 22-36-53 |
Safety: | 26-36-60-61 |
PSA: | 13.14000 |
LogP: | 4.34850 |
2-bromodibenzo[b,d]furan
Conditions | Yield |
---|---|
With 1,10-Phenanthroline; copper diacetate; silver carbonate In ethanol; water at 40℃; for 15h; | 95.5% |
2-bromodibenzo[b,d]furan
Conditions | Yield |
---|---|
With palladium diacetate In ethanol Reflux; | 85% |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; zirconium(IV) chloride In N,N-dimethyl-formamide at 70℃; for 18h; Inert atmosphere; Schlenk technique; | 83% |
With N-Bromosuccinimide; zirconium(IV) chloride In N,N-dimethyl-formamide at 70℃; for 18h; Schlenk technique; Inert atmosphere; | 83% |
With bromine In acetic acid Ambient temperature; | 82.5% |
2-bromodibenzo[b,d]furan
Conditions | Yield |
---|---|
With acethylacetonato(1,5-cyclooctadiene)rhodium(I); potassium iodide In acetic anhydride at 160℃; for 10h; Inert atmosphere; | 79% |
With 2Ag(1+)*CH2O3(2-); Pd(TFA)2 In 1,4-dioxane; dimethyl sulfoxide at 150℃; for 14h; Inert atmosphere; regioselective reaction; | 39% |
2-bromodibenzo[b,d]furan
Conditions | Yield |
---|---|
With sodium hydroxide In 1-methyl-pyrrolidin-2-one for 3h; Reflux; | 75% |
dibenzofuran
A
2-bromodibenzo[b,d]furan
B
3,6-dibromo-9-(2-methylpropyl)carbazole
Conditions | Yield |
---|---|
With bromine In water; acetic acid | A 60% B n/a |
Conditions | Yield |
---|---|
With bromine In chloroform at 20℃; for 240h; | A 47% B n/a |
Conditions | Yield |
---|---|
With hydrogenchloride; copper(I) bromide; sodium nitrite |
5-bromo-2-phenoxyaniline
2-bromodibenzo[b,d]furan
Conditions | Yield |
---|---|
With hydrogenchloride; sulfuric acid; sodium nitrite |
2-(4-bromo-phenoxy)-aniline
2-bromodibenzo[b,d]furan
Conditions | Yield |
---|---|
With hydrogenchloride; sulfuric acid; sodium nitrite |
The 2-Bromo-dibenzofuran, with CAS registry number 86-76-0, has the systematic name of 2-bromodibenzo[b,d]furan. Besides this, it is also called 2-Monobromodibenzofuran. Its molecular weight is 435.3469. And the chemical formula of this chemical is C12H7BrO.
Physical properties of 2-Bromo-dibenzofuran: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 4.89; (5)ACD/BCF (pH 5.5): 3074; (6)ACD/BCF (pH 7.4): 3074; (7)ACD/KOC (pH 5.5): 10916.74; (8)ACD/KOC (pH 7.4): 10916.74; (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: 1.72; (14)Molar Refractivity: 61.92 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 24.55×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.577 g/cm3; (19)Flash Point: 161.7 °C; (20)Enthalpy of Vaporization: 56.45 kJ/mol; (21)Boiling Point: 343.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000136 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c3ccccc3oc1cc2
(2)InChI: InChI=1/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
(3)InChIKey: CRJISNQTZDMKQD-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
(5)Std. InChIKey: CRJISNQTZDMKQD-UHFFFAOYSA-N