Dibromoacetic acid - ≥97% , CAS No.631-64-1

CAS: 631-64-1 Cat. No.: D304215 Peso molecular: 217.84 Número EC: 211-165-5
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
Dibromoacetic acid, 97% | DIBROMOACETIC ACID [HSDB] | Dibromoacetic acid 1000 microg/mL in Methyl-tert-butyl ether | Tox21_202297 | FT-0632681 | LMFA01090076 | NCGC00257152-01 | 2,2-dibromoethanoic acid | DTXSID1023815 | HSDB 7622
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
D304215-1g
2

131,90US$

154,90US$
Guardar 23,00 US$ (14.85%)
5g
D304215-5g
1
534,90US$
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Application

Dibromoacetic acid can be used as a reactant:
Forthe stereoselective synthesis of (E)-α, β-unsaturated carboxylic acidsby samarium diiodide (SmI2) catalyzed reaction with aldehydes.
Tosynthesize sodium bis(2-pyridylthio)acetate ligand by reacting with 2-mercaptopyridinein the presence of NaOH.

Specifications

Sinónimos
Dibromoacetic acid, 97% | DIBROMOACETIC ACID [HSDB] | Dibromoacetic acid 1000 microg/mL in Methyl-tert-butyl ether | Tox21_202297 | FT-0632681 | LMFA01090076 | NCGC00257152-01 | 2, 2-dibromoethanoic acid | DTXSID1023815 | HSDB 7622
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid504752338
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752338
Sonrisas canónicasC(C(=O)O)(Br)Br
IUPAC Name2,2-dibromoacetic acid
InChIKeySIEILFNCEFEENQ-UHFFFAOYSA-N
INCHI1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
Isómeros SMILES C(C(=O)O)(Br)Br
WGK Alemania 3
RTECS AG5980000
Peso molecular 217.84
Reaxy-Rn 1700457
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700457&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAlpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAlpha-halocarboxylic acids
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl bromides  
Molecular FrameworkAliphatic 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
DescripciónThis 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 Halogenated fatty acids
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
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CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeFechaArticulo
K2208460Certificate of AnalysisMay 11, 2026 D304215
H2217307Certificate of AnalysisMar 11, 2026 D304215
H2304715Certificate of AnalysisMay 12, 2025 D304215
H2304719Certificate of AnalysisMay 12, 2025 D304215
B2524008Certificate of AnalysisFeb 17, 2025 D304215
B2524012Certificate of AnalysisFeb 17, 2025 D304215
B2524038Certificate of AnalysisFeb 17, 2025 D304215
F2604204Certificate of AnalysisFeb 17, 2025 D304215
K2208353Certificate of AnalysisAug 23, 2024 D304215
B2215534Certificate of AnalysisJan 11, 2022 D304215
B2215543Certificate of AnalysisJan 11, 2022 D304215

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Propiedades químicas y físicas
SensibilidadHygroscopic
Punto de inflamación (°F)235.4 °F
Punto de inflamación (°C)113 °C
Punto de ebullición (°C)128-130ºC16 mm Hg
Punto de fusión (°C)32-38 °C
Peso molecular217.840 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass217.84 Da
Monoisotopic Mass215.842 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count6
Formal Charge0
Complexity60.600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Chunge Wu, Yicui Wang, Xuewen Cai, Yao Wu, Erdeng Du, Lu Zheng, Mingguo Peng.  (2023)  Investigating haloacetic acids - human serum albumin interactions: A comprehensive approach using multi-spectroscopy, DFT calculations, and molecular docking.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2023.137143]
2. Yang Yang, Wei Ma, Baiyang Chen, Chong Peng, Wang Luo, Huan He.  (2022)  Determining haloacetic acids in drinking water by one-pump column-switching ion chromatography: An online and cost-effective tool for matrix removal and sample enrichment.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107997]
3. Wei Ma, Wenyu Li, Yang Yang, Jie Yang, Baiyang Chen, Yuefeng Xie.  (2022)  Derivatization-free multi-step extraction for trace haloacetic acids analysis with ion chromatography: Performance and mechanisms.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35605503] [10.1016/j.jhazmat.2022.129166]
4. Lei Wang, Yanan Sun, Baiyang Chen.  (2018)  Rejection of haloacetic acids in water by multi-stage reverse osmosis: Efficiency, mechanisms, and influencing factors.  WATER RESEARCH,      [PMID:30056322] [10.1016/j.watres.2018.07.045]
5. Lei Wang, Ruilan Niu, Baiyang Chen, Liwei Wang, Guan Zhang.  (2017)  A comparison of photodegradation kinetics, mechanisms, and products between chlorinated and brominated/iodinated haloacetic acids in water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2017.08.086]
6. Yu-Jia Nong, Qian-Yuan Wu, Yuan-Chu Qin, Zi-Bo Jing, Er-Dong Wang, Qing Bai, Wen-Long Wang.  (2025)  Enhanced Photolysis of Sulfite by Far-UVC (222 nm) and Efficient Photoreductive Degradation and Dehalogenation of Halogenated Organic Pollutants.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40761014] [10.1021/acs.est.5c04240]
7. Xueyun Wei, Baorong Zhang, Zhuomin Zhang, Gongke Li.  (2025)  Defective UiO-66-NH2 enrichment medium for effective extraction and sensitive analysis of haloacetic acid disinfection by-products in tea drinks.  TALANTA,      [PMID:40483809] [10.1016/j.talanta.2025.128424]
8. Xiaoyu Mao, Dashuang Mo, Mengzhu Lv.  (2025)  Bromoacetic acid and dibromoacetic acid induce cardiotoxicity in larval zebrafish by triggering oxidative stress.  COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY C-TOXICOLOGY & PHARMACOLOGY,      [PMID:41120048] [10.1016/j.cbpc.2025.110377]
9. 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]
10. Yujie Chai, Fupeng Li, Huawei Shi, Junjun Cao, Shuai Wang, Yan Wang, Gaohui Liu, Ruiyan Xiong, Junqi Gan, Chuanjie Fang, Liping Zhu.  (2026)  Dual polyethyleneimine-incorporated nanofibrous membranes for ultra-efficient adsorptive removal of haloacetic acids from water.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2026.137652]
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