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2,9-dibromo-1,10-phenanthroline

CAS No.
39069-02-8
Chemical Name:
2,9-dibromo-1,10-phenanthroline
Synonyms
2,9-dibroMo;Dibromo , Phenanthroline;2,9-dibromo-o-phenanthroline;2,9-dibromo-1,10-phenthroline;2,9-dibroMo-1,1phenanthroline;2,9-dibromo-1,10-phenanthroline;1,10-Phenanthroline, 2,9-dibroMo-;2,9-dibromo-1,10-phenanthroline USP/EP/BP;(7-CHLORO-3,6-DIMETHYL-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL)METHYL ACETATE
CBNumber:
CB32491692
Molecular Formula:
C12H6Br2N2
Molecular Weight:
338
MDL Number:
MFCD16038623
MOL File:
39069-02-8.mol
Last updated:2024-09-04 08:51:44

2,9-dibromo-1,10-phenanthroline Properties

Boiling point 460.2±40.0 °C(Predicted)
Density 1.915
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka 2.46±0.30(Predicted)
InChI InChI=1S/C12H6Br2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
InChIKey QNLGXYVSHITTGT-UHFFFAOYSA-N
SMILES N1C2C(=CC=C3C=2N=C(Br)C=C3)C=CC=1Br

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

2,9-dibromo-1,10-phenanthroline price More Price(30)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Biosynth Carbosynth FD139282 2,9-Dibromo-1,10-phenanthroline 39069-02-8 100mg $40 2021-12-16 Buy
Biosynth Carbosynth FD139282 2,9-Dibromo-1,10-phenanthroline 39069-02-8 250mg $70 2021-12-16 Buy
AK Scientific J93285 2,9-Dibromo-1,10-phenanthroline 39069-02-8 250mg $75 2021-12-16 Buy
ChemScene CS-W004597 2,9-Dibromo-1,10-phenanthroline 99.02% 39069-02-8 1g $85 2021-12-16 Buy
AK Scientific 5082AB 2,9-Dibromo-1,10-phenanthroline 39069-02-8 250mg $101 2021-12-16 Buy
Product number Packaging Price Buy
FD139282 100mg $40 Buy
FD139282 250mg $70 Buy
J93285 250mg $75 Buy
CS-W004597 1g $85 Buy
5082AB 250mg $101 Buy

2,9-dibromo-1,10-phenanthroline Chemical Properties,Uses,Production

Structure

C12H6Br2N2, orthorhombic, Pna21 (no. 33), a = 19.6816(9) Å, b = 4.6554(2) Å, c = 11.8795(6) Å, V = 1088.47(9) Å3, Z = 4, Rgt(F) = 0.043, wRref(F2) = 0.107, T = 293 K. A stable one-dimensional (1D) layered structure is formed by π⋅⋅⋅π stacking interactions between 2,9-dibromo-1,10-phenanthroline molecules that pack along the crystallographic b-axis. The quantum chemical calculation shows the interaction energy between 2,9-dibromo-1,10-phenanthroline molecules is −9.22 kcal/mol. The 1D layered structures are linked to form a two-dimensional (2D) sheet via C2—H2⋅⋅⋅Br2 hydrogen bonds with d(H2⋅⋅⋅Br2) = 3.028 Å and <(C2—H2⋅⋅⋅Br2) = 158.55°. The 2D sheets pack dispersive interactions to construct the three-dimensional (3D) crystal structure. Compared to the π⋅⋅⋅π stacking interaction, the aforementioned C2—H2⋅⋅⋅Br2 hydrogen bond is much weaker. At the ωB97X-D/def2-TZVPP theory level, the interaction energy of the C2—H2⋅⋅⋅Br2 hydrogen bond is −2.48 kcal/mol.

Synthesis

Under an argon atmosphere, 2.0 mL of phosphorus tribromide was added to 2,9-dichloro-1,10-phenanthroline (70.0 mg, 0.281 mmol), and the mixture was stirred at 165°C for seven hours. The reaction solution was cooled with ice, and the aqueous solution of sodium hydrogen carbonate was added thereto little by little until the reaction solution became weakly basic. The resulting mixture was filtrated, and the filtrated matter was washed lightly with methanol. The filtrated matter was extracted with chloroform potassium carbonate aqueous solution, and the organic phase was dried over anhydrous sodium sulfate, filtrated, and concentrated on providing 76.6 mg (81.1percent yield) of the colourless solid 2, 9-dibromo-1,10-phenanthroline.

Global( 137)Suppliers
Supplier Tel Email Country ProdList Advantage
Shengyan (Shanghai) New Material Co., Ltd.
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Shanghai UCHEM Inc.
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Hebei Xinsheng New Material Technology Co., LTD.
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Shanghai Daken Advanced Materials Co.,Ltd
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Hangzhou FandaChem Co.,Ltd.
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ATK CHEMICAL COMPANY LIMITED
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AB PharmaTech,LLC
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career henan chemical co
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Shenzhen Nexconn Pharmatechs Ltd
+86-755-89396905 +86-15013857715 admin@nexconn.com China 10312 58

View Lastest Price from 2,9-dibromo-1,10-phenanthroline manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2,9-Dibromo-1,10-phenanthroline pictures 2024-08-07 2,9-Dibromo-1,10-phenanthroline
39069-02-8
US $108.00-439.00 / g 1g 0.98 10kg Shanghai UCHEM Inc.
2,9-Dibromo-1,10-Phenanthroline pictures 2023-11-13 2,9-Dibromo-1,10-Phenanthroline
39069-02-8
US $0.00-0.00 / kg 1kg 99.9% 30000 Kg Hebei Xinsheng New Material Technology Co., LTD.
2,9-dibromo-1,10-phenanthroline pictures 2023-09-26 2,9-dibromo-1,10-phenanthroline
39069-02-8
US $35.00-25.00 / kg 1kg 99% 20 Ton Hebei Xinsheng New Material Technology Co., LTD.
2,9-dibromo-1,10-phenanthroline 1,10-Phenanthroline, 2,9-dibroMo- 2,9-dibroMo-1,1phenanthroline 2,9-dibromo-1,10-phenthroline (7-CHLORO-3,6-DIMETHYL-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL)METHYL ACETATE 2,9-dibroMo 2,9-dibromo-o-phenanthroline 2,9-dibromo-1,10-phenanthroline USP/EP/BP Dibromo , Phenanthroline 39069-02-8 39069-02-9