1,1-Dibromoethane (contains stabilizer ) - ≥98%(GC) , CAS No.557-91-5

CAS: 557-91-5 Cat. No.: D155317 Molecular Weight: 187.86 EC Number: 209-184-9

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-67227 | 1,1-Dibromoethane (stabilized with copper chip) | 2-dibromoethane | CH3CHBr2 | BS-42225 | dibromoethan | 1,1-DIBROMOETHANE | 1,1-dibromo-ethane | DTXSID3060324 | EINECS 209-184-9 | SCHEMBL4352 | UNII-KJ8ZJY72QQ | HSDB 7382 | Q2352935 | dibro

Storage

Argon charged

Shipped In

Normal

Specifications

Synonyms

EN300-67227 | 1, 1-Dibromoethane (stabilized with copper chip) | 2-dibromoethane | CH3CHBr2 | BS-42225 | dibromoethan | 1, 1-DIBROMOETHANE | 1, 1-dibromo-ethane | DTXSID3060324 | EINECS 209-184-9 | SCHEMBL4352 | UNII-KJ8ZJY72QQ | HSDB 7382 | Q2352935 | dibro

Specifications & Purity

≥98%(GC)

Storage

Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181286
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181286
• Canonical Smiles: CC(Br)Br
• IUPAC Name: 1,1-dibromoethane
• InChIKey: APQIUTYORBAGEZ-UHFFFAOYSA-N
• INCHI: 1S/C2H4Br2/c1-2(3)4/h2H,1H3
• Isomeric SMILES: CC(Br)Br
• RTECS: KH9000000
• Molecular Weight: 187.86
• Reaxy-Rn: 1696904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696904&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• External Descriptors: Not available

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: Insoluble in water
• Sensitivity: Light sensitive;Air sensitive
• Refractive Index: 1.51
• Boil Point(°C): 108℃
• Molecular Weight: 187.860 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 187.866 Da
• Monoisotopic Mass: 185.868 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 11.500
• 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

References

1. Hao-Ran Chen, Min Wan, Zi-Mu Li, Wen-He Zhong, Si-Yu Ye, Qiang-Qiang Jia, Jun-Yi Li, Li-Zhuang Chen.  (2023)  Precise Design of Molecular Ferroelectrics with High TC and Tunable Band Gap by Molecular Modification.  INORGANIC CHEMISTRY,      [PMID:37463296] [10.1021/acs.inorgchem.3c01497]

2. Dawei Luo, Jian Zhang, Yu Liang, Jianling Ni, Fangming Wang, Wei Liu.  (2021)  New Copper Bromide Organic-Inorganic Hybrid Molecular Compounds with Anionic Inorganic Core and Cationic Organic Ligands.  Crystals,  12  (1): (19).  [PMID:] [10.3390/cryst12010019]

3. Luc-Sy Tran, Julia Wullenkord, Yuyang Li, Olivier Herbinet, Meirong Zeng, Fei Qi, Katharina Kohse-Höinghaus, Frédérique Battin-Leclerc.  (2019)  Probing the low-temperature chemistry of di-n-butyl ether: Detection of previously unobserved intermediates.  COMBUSTION AND FLAME,      [PMID:] [10.1016/j.combustflame.2019.08.022]