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Name	3,6-Dibromophenanthrene	EINECS	N/A
CAS No.	174735-02-5	Density	1.768 g/cm³
PSA	0.00000	LogP	5.51800
Solubility	N/A	Melting Point	188-191℃
Formula	C₁₄H₈Br₂	Boiling Point	438.755 °C at 760 mmHg
Molecular Weight	336.026	Flash Point	256.192 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	3,6-Dibromophenanthrene;	Article Data	12

3,6-Dibromophenanthrene Synthetic route

: 2765-14-2, 18869-30-2, 23958-29-4, 131899-14-4, 131899-15-5
4,4'-dibromostilbene

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
With tetrahydrofuran; iodine In toluene for 16h; Irradiation;	97%
With iodine In tetrahydrofuran; toluene for 48h; Inert atmosphere; Irradiation;	83%
In cyclohexane Irradiation;

: 18869-30-2
(E)-4,4'-dibromostilbene

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
With iodine In tetrahydrofuran; toluene for 16h; Irradiation;	97%
With iodine In toluene Irradiation; Inert atmosphere;	80%
With potassium iodide In cyclohexane Schlenk technique; Irradiation; Reflux;	80%
With iodine In benzene Irradiation;	77.2%
With iodine; methyloxirane In cyclohexane for 2h; Photolysis;

: 860551-67-3
3,6-dibromophenanthrene-9-carboxylic acid

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
With quinoline; copper chromite Heating;	73%

: 13974-85-1
3,6-Dibrom-9,10-dihydrophenanthren

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
With N-Bromosuccinimide; sodium carbonate

3.6-dibromo-phenanthrene-carboxylic acid-(9): 3.6-dibromo-phenanthrene-carboxylic acid-(9)

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
With quinoline; copper chromite at 210 - 220℃;

: 1122-91-4
4-bromo-benzaldehyde

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 2: iodine / tetrahydrofuran; toluene / 16 h / Irradiation View Scheme
Multi-step reaction with 3 steps 1.1: potassium carbonate / 1,2-dimethoxyethane / 1 h / Inert atmosphere 1.2: 24 h / 80 °C / Inert atmosphere 2.1: sodium acetate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) / N,N-dimethyl acetamide / 48 h / 100 - 140 °C / Schlenk technique; Inert atmosphere 3.1: iodine / toluene / Irradiation; Inert atmosphere View Scheme

: 2039-82-9
1-bromo-4-ethenyl-benzene

: 174735-02-5
2,9-dibromophenanthrene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium acetate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) / N,N-dimethyl acetamide / 48 h / 100 - 140 °C / Schlenk technique; Inert atmosphere 2: iodine / toluene / Irradiation; Inert atmosphere View Scheme

: 773837-37-9
sodium cyanide

: 174735-02-5
2,9-dibromophenanthrene

: C15H8BrN

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 15h;	89%

: 174735-02-5
2,9-dibromophenanthrene

: 73183-34-3
bis(pinacol)diborane

: 1358762-95-4
C26H32B2O4

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 80℃; for 15h; Inert atmosphere;	89%

: 174735-02-5
2,9-dibromophenanthrene

: 501-65-5
diphenyl acetylene

: 13,16-dihydrodiindeno[1,2-b:2′,1′-h]phenanthrene

Conditions

Conditions	Yield
Stage #1: 3,6-dibromophenanthrene; diphenyl acetylene With 1,8-diazabicyclo[5.4.0]undec-7-ene; cesium pivalate; 1,2-bis-(diphenylphosphino)ethane; palladium dichloride In 1,4-dioxane at 130℃; for 24h; Sealed tube; Inert atmosphere; Stage #2: With 18-crown-6 ether; potassium tert-butylate; hydrazine hydrate; potassium hydroxide In 1,4-dioxane at 110℃; for 12h; Inert atmosphere; Sealed tube;	88%

3,6-Dibromophenanthrene Specification

The 3,6-Dibromophenanthrene has the CAS registry number 174735-02-5. This chemical's molecular formula is C₁₄H₈Br₂ and molecular weight is 336.02. What's more, its systematic name is 3,6-Dibromophenanthrene.

Physical properties of 3,6-Dibromophenanthrene are: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 31591; (6)ACD/BCF (pH 7.4): 31591; (7)ACD/KOC (pH 5.5): 57859; (8)ACD/KOC (pH 7.4): 57859; (9)Index of Refraction: 1.749; (10)Molar Refractivity: 77.318 cm³; (11)Molar Volume: 190.035 cm³; (12)Polarizability: 30.651×10^-24cm³; (13)Surface Tension: 54.329 dyne/cm; (14)Density: 1.768 g/cm³; (15)Flash Point: 256.192 °C; (16)Enthalpy of Vaporization: 66.877 kJ/mol; (17)Boiling Point: 438.755 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc2ccc1ccc(Br)cc1c2c3
(2)InChI: InChI=1/C14H8Br2/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H
(3)InChIKey: XTPMJIMUYNZFFN-UHFFFAOYSA-N

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