tert-Butyl bromide - ≥98%(GC), contains 0.5% potassium carbonate as stabilizer , CAS No.507-19-7

CAS: 507-19-7 Cat. No.: B105785 Molecular Weight: 137.02 Beilstein Registry Number: 1730892 EC Number: 208-065-9

GRADE & PURITY ≥98%(GC), contains 0.5% potassium carbonate as stabilizer

Synonyms

AKOS009031116 | HSDB 2196 | tertbutyl bromide | tert-Butyl bromide | STL282745 | STR04155 | NSC8418 | NSC-8418 | BP-31078 | FT-0611397 | W-105932 | EN300-21275 | 2-Bromo-2-methylpropane, 98% | NSC 8418 | T-BUTYL BROMIDE [HSDB] | tert-Butyl bromide, 98+%,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Overview

Usually used to study the massive deadenylation of adenine based-nucleosides induced by halogenated alkanes under physiological conditions.

Specifications

Synonyms

AKOS009031116 | HSDB 2196 | tertbutyl bromide | tert-Butyl bromide | STL282745 | STR04155 | NSC8418 | NSC-8418 | BP-31078 | FT-0611397 | W-105932 | EN300-21275 | 2-Bromo-2-methylpropane, 98% | NSC 8418 | T-BUTYL BROMIDE [HSDB] | tert-Butyl bromide, 98+%,

Specifications & Purity

≥98%(GC), contains 0.5% potassium carbonate as stabilizer

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504751962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751962
• Canonical Smiles: CC(C)(C)Br
• IUPAC Name: 2-bromo-2-methylpropane
• InChIKey: RKSOPLXZQNSWAS-UHFFFAOYSA-N
• INCHI: 1S/C4H9Br/c1-4(2,3)5/h1-3H3
• Isomeric SMILES: CC(C)(C)Br
• WGK Germany: 3
• RTECS: TX4150000
• UN Number: 2342
• Packing Group: II
• Molecular Weight: 137.02
• Beilstein: 1730892
• Reaxy-Rn: 1730892
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730892&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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Immiscible with water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.428
• Flash Point(°C): 18 °C
• Boil Point(°C): 72.8°C
• Melt Point(°C): -16.3°C
• Molecular Weight: 137.020 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 135.989 Da
• Monoisotopic Mass: 135.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 25.100
• 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. Weiqiu Wen, Jianwei Guo, Xi Zhao, Xiong Li, Hongmei Yang, Jem-Kun Chen.  (2018)  Synthesis of an Efficient S/N-Based Flame Retardant and Its Application in Polycarbonate.  Polymers,  10  (4): (441).  [PMID:30966476] [10.3390/polym10040441]

2. Dong Yu Zhu, Jian Wei Guo, Jia Xing Xian, Shu Qin Fu.  (2017)  Novel sulfonate-containing halogen-free flame-retardants: effect of ternary and quaternary sulfonates centered on adamantane on the properties of polycarbonate composites.  RSC Advances,  7  (62): (39270-39278).  [PMID:] [10.1039/C7RA06504C]

3. Yang Ya, Jin Jing, Wang Jinshou, Shi Zhen, Zhang Shenghui.  (2016)  Kinetics of a Hydrolysis Reaction in an Oil/Water Microemulsion System Near the Critical Point.  JOURNAL OF SOLUTION CHEMISTRY,  45  (5): (702-711).  [PMID:] [10.1007/s10953-016-0467-9]

4. Jinshou Wang, Jing Jin, Yanbin Tan, Zhen Shi, Shenghu Zhang.  (2016)  Kinetics of a hydrolysis reaction in critical surfynol465/n-butanol/ethyl acetate/water microemulsion.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2016.02.039]

5. Li Yongqiang, Yang Siwei, Bao Wancheng, Tao Quan, Jiang Xiuyun, Li Jipeng, He Peng, Wang Gang, Qi Kai, Dong Hui, Ding Guqiao, Xie Xiaoming.  (2024)  Accelerated proton dissociation in an excited state induces superacidic microenvironments around graphene quantum dots.  Nature Communications,  15  (1): (1-13).  [PMID:39103388] [10.1038/s41467-024-50982-x]

6. Ting Xu, Zihan Xue, Xinhui Li, Miaomiao Zhang, Ruige Yang, Shangshang Qin, Yong Guo.  (2025)  Development of Membrane-Targeting Osthole Derivatives Containing Pyridinium Quaternary Ammonium Moieties with Potent Anti-Methicillin-Resistant Staphylococcus aureus Properties.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40205941] [10.1021/acs.jmedchem.4c03167]