Structure
ChemicalBook > CAS DataBase List > 2,9-dibromo-1,10-phenanthroline

2,9-dibromo-1,10-phenanthroline

Structure
Product Name
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
Formula Weight
338
MOL File
39069-02-8.mol
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2,9-dibromo-1,10-phenanthroline Property

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Biosynth Carbosynth
Product number
FD139282
Product name
2,9-Dibromo-1,10-phenanthroline
Packaging
100mg
Price
$40
Updated
2021/12/16
Biosynth Carbosynth
Product number
FD139282
Product name
2,9-Dibromo-1,10-phenanthroline
Packaging
250mg
Price
$70
Updated
2021/12/16
AK Scientific
Product number
J93285
Product name
2,9-Dibromo-1,10-phenanthroline
Packaging
250mg
Price
$75
Updated
2021/12/16
ChemScene
Product number
CS-W004597
Product name
2,9-Dibromo-1,10-phenanthroline
Purity
99.02%
Packaging
1g
Price
$85
Updated
2021/12/16
AK Scientific
Product number
5082AB
Product name
2,9-Dibromo-1,10-phenanthroline
Packaging
250mg
Price
$101
Updated
2021/12/16
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2,9-dibromo-1,10-phenanthroline Chemical Properties,Usage,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.

2,9-dibromo-1,10-phenanthroline Preparation Products And Raw materials

Raw materials

Preparation Products

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

Shanghai Uchem Inc.
Tel
15618758386 15618758386
Fax
QQ:3004479444
Email
sales3@myuchem.com
Country
China
ProdList
2046
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55
Zhengzhou HQ Material Co., Ltd.
Tel
0371-67759225 13526468238
Fax
+86-37155919558
Email
sales@hqmat.com
Country
China
ProdList
525
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60
Zhengzhou Huiju Chemical Co., Ltd.
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0371-55900031 18137872243
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QQ:2853979815
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2853979815@qq.com
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China
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Beijing HwrkChemical Technology Co., Ltd
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010-89508211 18501085097
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010-89508210
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sales.bj@hwrkchemical.com
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China
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Energy Chemical
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021-021-58432009 400-005-6266
Fax
021-58436166
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sales8178@energy-chemical.com
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China
ProdList
44689
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Nanjing Vital Chemical Co., Ltd.
Tel
Please Send Email 18652950785
Fax
025-87193546
Email
chemweiao@163.com
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China
ProdList
4378
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Hangzhou Sage Chemical Co., Ltd.
Tel
+86057186818502 13588463833
Fax
Pls mail us for more information!
Email
info@sagechem.com
Country
China
ProdList
10266
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Yurui (Shanghai) Chemical Co., Ltd.
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21-50456736 13818239876
Fax
021-50761379
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sales21@riyngroup.com
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China
ProdList
1052
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30
Shanghai T&W Pharmaceutical Co., Ltd.
Tel
+86 21 61551611
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+86 21 50676805
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China
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9891
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Nanjing Norris-Pharm Technology Co., Ltd
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13901585132
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+86-25-52131256
Email
799750417@qq.com
Country
China
ProdList
8878
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View Lastest Price from 2,9-dibromo-1,10-phenanthroline manufacturers

Shanghai UCHEM Inc.
Product
2,9-Dibromo-1,10-phenanthroline 39069-02-8
Price
US $108.00-439.00/g
Min. Order
1g
Purity
0.98
Supply Ability
10kg
Release date
2023-10-16
Hebei Xinsheng New Material Technology Co., LTD.
Product
2,9-dibromo-1,10-phenanthroline 39069-02-8
Price
US $35.00-25.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 Ton
Release date
2023-09-26
Hebei Xinsheng New Material Technology Co., LTD.
Product
2,9-Dibromo-1,10-Phenanthroline 39069-02-8
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99.9%
Supply Ability
30000 Kg
Release date
2023-11-13

39069-02-8, 2,9-dibromo-1,10-phenanthrolineRelated Search:


  • 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 AC<WBR />ETATE
  • 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