Calcium bromide - PrimorTrace™, Ultra dry, ≥99.99% metals basis , CAS No.7789-41-5

CAS: 7789-41-5 Cat. No.: C283864 Molecular Weight: 199.89 EC Number: 232-164-6

GRADE & PURITY PrimorTrace™, Ultra dry, ≥99.99% metals basis

Synonyms

7789-41-5|Calcium bromide|Calcium dibromide|Calciumbromide|Kalziumbromid|CaBr2|CHEBI:31338|87CNY2EEBH|DTXSID0044577|DTXCID8024577|Brocal|CHEMBL2105852|WGEFECGEFUFIQW-UHFFFAOYSA-L|AKOS015832992|H-PRO-PNAHBR|CALCIUMBROMIDEDIHYDRATE|CALCIUM BROMIDE [MI]|CALC

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

CaBr2 is mainly used as a dense aqueous solution for drilling fluid. It is also used in neuroses medication, freezing mixtures, food preservatives, photography and fire retardants.

Specifications

Synonyms

7789-41-5 | Calcium bromide | Calcium dibromide | Calciumbromide | Kalziumbromid | CaBr2 | CHEBI:31338 | 87CNY2EEBH | DTXSID0044577 | DTXCID8024577 | Brocal | CHEMBL2105852 | WGEFECGEFUFIQW-UHFFFAOYSA-L | AKOS015832992 | H-PRO-PNAHBR | CALCIUMBROMIDEDIHYDRATE | CALCIUM BROMIDE [MI] | CALC

Specifications & Purity

PrimorTrace™, Ultra dry, ≥99.99% metals basis

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

PrimorTrace™, Ultra dry

Purity

≥99.99% metals basis

Names and Identifiers

• Canonical Smiles: [Ca+2].[Br-].[Br-]
• IUPAC Name: calcium;dibromide
• InChIKey: WGEFECGEFUFIQW-UHFFFAOYSA-L
• INCHI: 1S/2BrH.Ca/h2*1H;/q;;+2/p-2
• Isomeric SMILES: [Ca+2].[Br-].[Br-]
• WGK Germany: 1
• Molecular Weight: 199.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkaline earth metal salts
      • Subclass Alkaline earth metal bromides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal salts
• Subclass: Alkaline earth metal bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal bromides
• Alternative Parents: Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Alkaline earth metal bromide - Inorganic calcium salt - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal bromides. These are inorganic compounds in which the largest halogen atom is Bromine, and the heaviest metal atom a lanthanide.
• External Descriptors: calcium salt

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

Chemical and Physical Properties

• Solubility: It is soluble in water, alcohol and acetone.
• Sensitivity: Hygroscopic. Ambient temperatures.
• Boil Point(°C): 806-812°
• Melt Point(°C): 730°
• Molecular Weight: 199.890 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.797 Da
• Monoisotopic Mass: 197.799 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 0.000
• 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: 3

XLogP3

References

1. Keqiang Chen, Zixin Gu, Zhiqing Wang, Mengyu Guan, Xiu Tan, Wanqing Xu, Xinyu Ji, Weiqi Lu, Yueli Liu, Guogang Li.  (2023)  Surface polarization-induced emission and stability enhancement of CsPbX3 nanocrystals.  Chemical Science,  14  (33): (8914-8923).  [PMID:37621427] [10.1039/D3SC02109B]

2. Mingming Liu, Qun Wan, Xinrong Liao, Wenji Zhan, Changwei Yuan, Qinggang Zhang, Mengda He, Cong Zou, Meitian Pan, Long Kong, Liang Li.  (2023)  Construction of efficient and stable CsPbBr3 nanocrystals via calcium and fluorine ion combined-treatment for light-emitting diodes.  Journal of Materials Chemistry C,  11  (32): (10965-10972).  [PMID:] [10.1039/D3TC01719B]

3. Cui Ruizhi, Peng Changwei, Nie Guoliang, Sang Shihua, Ren Hongbao, Li Wu.  (2023)  Solid-liquid equilibria in relevant subsystems of LiBr-NaBr-KBr-MgBr2-CaBr2-H2O system at 298.15 K.  Frontiers in Chemistry,      [PMID:36874070] [10.3389/fchem.2023.1093435]

4. Xiaoyi Tang, Siyi Wang, Zhihui Zhang, Zijie Li, Lin Wang, Liyong Yuan, Bairong Wang, Jian Sun, Lirong Zheng, Hongqing Wang, Weiqun Shi.  (2022)  Graphene oxide/chitosan/potassium copper hexacyanoferrate(II) composite aerogel for efficient removal of cesium.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136397]

5. Xupeng Gao, Qiang Hu, Xin Li, Po Lu, Yuan Zhong, Xinyu Shen, William W. Yu, Min Lu, Zhennan Wu, Siyao Yu, Xue Bai, Yu Zhang.  (2022)  Reduced-Dimensional Engineering toward 2D R-P (OAm)2CsPb2Br7 Perovskite by Metal Ion Enabled Ligands Confinement Effect.  Advanced Materials Interfaces,  9  (11): (2102251).  [PMID:] [10.1002/admi.202102251]

6. Zhihao Yang, Chaoyi Yin, Haiyang Lu, Hao Wu, Sara Shamin, Long Ba.  (2021)  Strain-Durable High-Conductivity Nylon-6 Fiber with 1D Nanomaterial Lamellar Cladding for Massive Production.  ACS Applied Materials & Interfaces,      [PMID:34839665] [10.1021/acsami.1c14515]

7. Liu Zhihong, Ye Fengchun, Chen Rui, Wang Hongjun, Xia Longgong.  (2021)  The Partitioning Behaviors of Au, Ag, and Sn in the Cu-FeOX-SiO2-CaO-Al2O3 Smelting System in the Presence of Halogen Elements.  JOM,  74  (2): (622-633).  [PMID:] [10.1007/s11837-021-04987-2]

8. Jidong Deng, Jiao Xun, Wei Shen, Ming Li, Rongxing He.  (2021)  Phase Regulation of CsPb2Br5/CsPbBr3 Perovskite Nanocrystals by Doping with Divalent Cations: Implications for Optoelectronic Devices with Enhanced Stability and Reduced Toxicity.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c01737]

9. Ziyao He, Xiaojuan Liang, Weidong Xiang.  (2021)  High-efficiency Ca2+ doping all-inorganic nanocrystals (CsPbBr3 and CsPbBr1I2) encapsulated in a superhydrophobic aerogel inorganic matrix for white light-emitting diodes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.130964]

10. Feng Zhang, Yin Bai, Yuebo Cai.  (2020)  Early strength and microstructure of Portland cement mixed with calcium bromide at 5 °C.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2020.121508]

11. Yudi Wang, Xiya Yang, Xueping Yu, Jialong Duan, Qianming Yang, Yanyan Duan, Qunwei Tang.  (2020)  Triboelectric charging behaviors and photoinduced enhancement of alkaline earth ions doped inorganic perovskite triboelectric nanogenerators.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2020.105280]

12. Hengxin Fang, Zhixu Tang, Xinjuan Liu, Yongli Huang, Chang Q. Sun.  (2019)  Discriminative ionic capabilities on hydrogen-bond transition from the mode of ordinary water to (Mg, Ca, Sr)(Cl, Br)2 hydration.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.01.147]

13. Xi Liu, Shuai Zhang, Qing-Wen Song, Xiao-Fang Liu, Ran Ma, Liang-Nian He.  (2016)  Cooperative calcium-based catalysis with 1,8-diazabicyclo[5.4.0]-undec-7-ene for the cycloaddition of epoxides with CO2 at atmospheric pressure.  GREEN CHEMISTRY,  18  (9): (2871-2876).  [PMID:] [10.1039/C5GC02761F]

14. Jie Zhang, Meng-Ping Ren, Man Xu, Zhonghui Zhang, Mingxue An, Yang Lu, Xiao-Wu Lei, Zhongliang Gong, Cheng-Yang Yue.  (2024)  Ultrafast Visual Detection of a Trace Amount of Water by Highly Efficient Hybrid Manganese Halides.  ACS Applied Materials & Interfaces,      [PMID:38961579] [10.1021/acsami.4c05411]