1,2-Dibromobenzene - ≥97% , CAS No.583-53-9

CAS: 583-53-9 Cat. No.: D107944 Formula: C₆H₄Br₂ Peso molecolare: 235.9 Beilstein Registry Number: 970241 Numero EC: 209-507-3

GRADE & PURITY ≥97%

Synonyms

BENZENE,1,2-DIBROMO | AKOS000121579 | NSC 60643 | MFCD00000057 | UN2711 | 1,2-DIBROMOBENZENE | SCHEMBL29314 | AM87079 | DTXSID0022064 | UNII-52K9W7U6EH | 1,2 dibromobenzene | CHEBI:37152 | Q5L1S3J96A | J-503806 | ortho-Dibromobenzene | AS-12663 | D0168 |

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Panoramica

1,2-Dibromobenzene is used as a precursor in the preparation of 3-(2-bromophenylthio)-4H-[1]benzopyran-4-one using copper as a reagent. It is involved in the preparation of isoindoloquinazolinones by the carbonylation reaction with 2-aminobenzyl amine using palladium as the catalyst.

Specifications

Sinonimi

BENZENE,1,2-DIBROMO | AKOS000121579 | NSC 60643 | MFCD00000057 | UN2711 | 1,2-DIBROMOBENZENE | SCHEMBL29314 | AM87079 | DTXSID0022064 | UNII-52K9W7U6EH | 1,2 dibromobenzene | CHEBI:37152 | Q5L1S3J96A | J-503806 | ortho-Dibromobenzene | AS-12663 | D0168 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

FedEx DG Service

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504752117
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752117
• Sorrisi canonici: C1=CC=C(C(=C1)Br)Br
• IUPAC Name: 1,2-dibromobenzene
• InChIKey: WQONPSCCEXUXTQ-UHFFFAOYSA-N
• INCHI: 1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
• Isomeri SMILES: C1=CC=C(C(=C1)Br)Br
• WGK Germania: 3
• Peso molecolare: 235.9
• Beilstein: 970241
• Reaxy-Rn: 970241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• External Descriptors: dibromobenzene

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with ethanol, ethyl ether, acetone, chloroform, acetic acid, benzene, petroleum ether and tetrachloromethane. Immiscible with water.
• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.611
• Punto di infiammabilità (°F): 197.6 °F
• Punto di infiammabilità (°C): 92 °C
• Punto di ebollizione (°C): 224°C
• Punto di fusione (°C): 4-6°C
• Peso molecolare: 235.900 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.866 Da
• Monoisotopic Mass: 233.868 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]

2. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]

3. Li Hong-Xing, Xie Tian-Peng, Xie Sheng-Ming, Wang Bang-Jin, Zhang Jun-Hui, Yuan Li-Ming.  (2020)  Enantiomeric Separation on a Homochiral Porous Organic Cage-Based Chiral Stationary Phase by Gas Chromatography.  CHROMATOGRAPHIA,  83  (6): (703-713).  [PMID:] [10.1007/s10337-020-03895-y]

4. Li Hong-Xing, Xie Tian-Peng, Yan Ke-Qian, Xie Sheng-Ming, Wang Bang-Jin, Zhang Jun-Hui, Yuan Li-Ming.  (2020)  A hydroxyl-functionalized homochiral porous organic cage for gas chromatographic separations.  MICROCHIMICA ACTA,  187  (5): (1-10).  [PMID:32291536] [10.1007/s00604-020-04252-4]

5. Bu-Lin Chen, Li Liu, Xin-Xin Zhong, Abdullah M. Asiri, Khalid A. Alamry, Guang-Hua Li, Fa-Bao Li, Nian-Yong Zhu, Wai-Yeung Wong, Hai-Mei Qin.  (2017)  Synthesis, characterization and luminescent properties of copper(I) halide complexes containing biphenyl bidentate phosphine ligand.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2017.1415432]

6. Ai-Hong Duan, Bang-Jin Wang, Sheng-Ming Xie, Jun-Hui Zhang, Li-Ming Yuan.  (2017)  A chiral, porous, organic cage-based, enantioselective potentiometric sensor for 2-aminobutanol.  CHIRALITY,  29  (5): (172-177).  [PMID:28379641] [10.1002/chir.22684]

7. Jun-Hui Zhang, Sheng-Ming Xie, Ling Chen, Bang-Jin Wang, Pin-Gang He, Li-Ming Yuan.  (2015)  Homochiral Porous Organic Cage with High Selectivity for the Separation of Racemates in Gas Chromatography.  ANALYTICAL CHEMISTRY,      [PMID:26145712] [10.1021/acs.analchem.5b01512]

8. Mei Zhang, Jun-Hui Zhang, Yan Zhang, Bang-Jin Wang, Sheng-Ming Xie, Li-Ming Yuan.  (2013)  Chromatographic study on the high performance separation ability of a homochiral [Cu2(d-Cam)2(4,4′-bpy)]n based-column by using racemates and positional isomers as test probes.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:24373537] [10.1016/j.chroma.2013.12.023]

9. Sheng-Ming Xie, Jun-Hui Zhang, Nan Fu, Bang-Jin Wang, Ling Chen, Li-Ming Yuan.  (2015)  A chiral porous organic cage for molecular recognition using gas chromatography.  ANALYTICA CHIMICA ACTA,      [PMID:26709309] [10.1016/j.aca.2015.11.030]

10. Jun-Hui Zhang, Sheng-Ming Xie, Bang-Jin Wang, Pin-Gang He, Li-Ming Yuan.  (2015)  Highly selective separation of enantiomers using a chiral porous organic cage.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:26632517] [10.1016/j.chroma.2015.11.038]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 583-53-9, the molecular formula is C6H4Br2, and the molecular weight is 235.9 g/mol. InChIKey WQONPSCCEXUXTQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.