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Cas Database

Name	2-Bromo-dibenzofuran	EINECS	659-733-5
CAS No.	86-76-0	Density	1.35 g/cm³
PSA	13.14000	LogP	4.34850
Solubility	N/A	Melting Point	121-122℃
Formula	C₁₂H₇BrO	Boiling Point	343.8 °C at 760 mmHg
Molecular Weight	247.091	Flash Point	161.7 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36-60-61	Risk Codes	22-36-53
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-Bromodibenzofuran;NSC 1735;	Article Data	51

2-Bromo-dibenzofuran Synthetic route

: 2-bromo-6-hydroxy-6H-dibenzo[c,e][1,2]oxaborin

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With 1,10-Phenanthroline; copper diacetate; silver carbonate In ethanol; water at 40℃; for 15h;	95.5%

: (x)BF4*C12H8BrN2O(1+)

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With palladium diacetate In ethanol Reflux;	85%

: 132-64-9
dibenzofuran

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

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-(4-bromo-phenoxy)benzoic acid

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

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%

: C12H8BrFO

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With sodium hydroxide In 1-methyl-pyrrolidin-2-one for 3h; Reflux;	75%

: 132-64-9
dibenzofuran

A: 86-76-0
2-bromodibenzo[b,d]furan

B: 1204702-75-9
3,6-dibromo-9-(2-methylpropyl)carbazole

Conditions

Conditions	Yield
With bromine In water; acetic acid	A 60% B n/a

: 132-64-9
dibenzofuran

A: 10016-52-1
2,8-dibromodibenzofuran

B: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With bromine In chloroform at 20℃; for 240h;	A 47% B n/a

: 3693-22-9
dibenzo[b,d]furan-2-amine

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With hydrogenchloride; copper(I) bromide; sodium nitrite

: 56966-45-1
5-bromo-2-phenoxyaniline

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With hydrogenchloride; sulfuric acid; sodium nitrite

: 56966-46-2
2-(4-bromo-phenoxy)-aniline

: 86-76-0
2-bromodibenzo[b,d]furan

Conditions

Conditions	Yield
With hydrogenchloride; sulfuric acid; sodium nitrite

2-Bromo-dibenzofuran Specification

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

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