Tribromoacetic Acid - ≥98%(T) , CAS No.75-96-7

CAS: 75-96-7 Cat. No.: T162118 Molecular Weight: 296.74 Beilstein Registry Number: 1755150 EC Number: 200-919-9 PubChem CID: 6415

GRADE & PURITY ≥98%(T)

Synonyms

Tribromacetic acid | Tribromoacetic acid, analytical standard | CAS-75-96-7 | Q20978596 | EINECS 200-919-9 | C2HBr3O2 | CCRIS 7887 | EN300-143018 | SCHEMBL210187 | STL089890 | AKOS005655320 | FS-4203 | Tribromoaceticacid-methylt. | 71KTL99QJX | Tribromoac

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

Tribromacetic acid | Tribromoacetic acid, analytical standard | CAS-75-96-7 | Q20978596 | EINECS 200-919-9 | C2HBr3O2 | CCRIS 7887 | EN300-143018 | SCHEMBL210187 | STL089890 | AKOS005655320 | FS-4203 | Tribromoaceticacid-methylt. | 71KTL99QJX | Tribromoac

Specifications & Purity

≥98%(T)

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C(=O)(C(Br)(Br)Br)O
• IUPAC Name: 2,2,2-tribromoacetic acid
• InChIKey: QIONYIKHPASLHO-UHFFFAOYSA-N
• INCHI: 1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)
• Isomeric SMILES: C(=O)(C(Br)(Br)Br)O
• WGK Germany: 3
• PubChem CID: 6415
• UN Number: 3261
• Packing Group: II
• Molecular Weight: 296.74
• Beilstein: 1755150
• Reaxy-Rn: 1755150

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon 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: Soluble in water; Soluble in Ether,Alcohol
• Sensitivity: light & Moisture sensitive
• Boil Point(°C): 245 °C(lit.)
• Melt Point(°C): 128-132°C(lit.)
• Molecular Weight: 296.740 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 295.751 Da
• Monoisotopic Mass: 293.753 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 83.400
• 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. Hengyi Fu, Wenxiao Zheng, Weijian Duan, Guodong Fang, Xiaoguang Duan, Shaobin Wang, Chunhua Feng, Shishu Zhu.  (2024)  Overlooked Roles and Transformation of Carbon-Centered Radicals Produced from Natural Organic Matter in a Thermally Activated Persulfate System.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39126387] [10.1021/acs.est.4c06770]

2. Xingxing Huang, Yujie Ao, Haocheng Yang, Muyu Feng, Xuan Wang, Rui Chen, Qing Yang, Jinsuo Lu.  (2025)  A novel approach to healthy water Treatment: Boiling-Based UV photoelectrochemical oxidation process for the removal of disinfection by-products from drinking water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163658]

3. Xingxing Huang, Xiaojiang Huang, Muyu Feng, Haocheng Yang, Xuan Wang, Zhiqiang Zhang, Jinsuo Lu.  (2025)  Electrochemically assisted UV-enhanced boiling of drinking water to reduce human exposure to disinfection byproducts.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164601]

4. Baoquan Liu, Lianchong Shao, Jiayun Yu, Feipeng Huang, Chengpu Chu, Shaoping Tong, Laiquan Li, Huan Wu, Yinghua Xu, Bin Liu.  (2026)  Electrochemical hydrogenation of halogenated disinfection byproducts in drinking water purification.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2026.137108]