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2-Bromopropionic acid - 98%, high purity , CAS No.598-72-1
Basic Description
Synonyms
2-Bromopropanoic acid | Tox21_201417 | J-520410 | (+/-)-2-Bromopropionic acid | MFCD00145205 | J631I | BR1120 | AB03774 | Propanoic acid, 2-bromo-, (.+/-.)- | 2-bromo propionic acid | 2-Bromopropionic acid, analytical standard | 2-BROMOPROPIONIC ACID | 2-
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504752184
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752184
IUPAC Name
2-bromopropanoic acid
INCHI
InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey
MONMFXREYOKQTI-UHFFFAOYSA-N
Smiles
CC(C(=O)O)Br
Isomeric SMILES
CC(C(=O)O)Br
WGK Germany
3
RTECS
UA2451715
UN Number
3265
Molecular Weight
152.97
Beilstein
1720261
Reaxy-Rn
605451
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605451&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water, soluble in ethanol, ether, etc.
Refractive Index
1.4753
Flash Point(°F)
100 °C
Flash Point(°C)
100°C
Boil Point(°C)
96°C
Melt Point(°C)
25.7°C
Molecular Weight
152.970 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
151.947 Da
Monoisotopic Mass
151.947 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
61.800
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Zhou Qian, Liu Bing, Jia Zhaolei, Gao Xuejiao, Ba Xinwu, Zhang Yuangong, Bai Libin.
(2023)
Study of the temperature/HCO3- response mechanism of hyperbranched poly(bis-acrylamide)s.
POLYMER JOURNAL,
55
(12):
(1295-1305).
2.
Zhiwu Chen, Xingxing Liang, Rui Yang, Miao Yang, Tianwei Tan, Hui Cao.
(2019)
Construction of ordered multienzyme systems using multifunctional polymer brush-grafted magnetic nanoparticles as scaffolds.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
583
(123920).
3.
Xianxiang Hu, Zhijie Zhang, Yao Lu, Rui Liu, Lei Sun, Ivan P. Parkin, Xia Zhang.
(2019)
One-step synthesis of Ag@PS nanospheres via flash nanoprecipitation.
APPLIED ORGANOMETALLIC CHEMISTRY,
33
(3):
(e4713).
4.
Linlin Qin, Linling Li, Ye Sha, Ziyu Wang, Dongshan Zhou, Wei Chen, Gi Xue.
(2018)
Conformational Transitions of Polymer Chains in Solutions Characterized by Fluorescence Resonance Energy Transfer.
Polymers,
10
(9):
(1007).
5.
Zuguang Liu, Xiang Lu, Junkang Xie, Bo Feng, Qiaoning Han.
(2019)
Synthesis of a novel tunable lignin-based star copolymer and its flocculation performance in the treatment of kaolin suspension.
SEPARATION AND PURIFICATION TECHNOLOGY,
210
(355).
6.
Bo Hu, Lingdi Liu, Yanxu Zhao, Changli Lü.
(2016)
A facile construction of quaternized polymer brush-grafted graphene modified polysulfone based composite anion exchange membranes with enhanced performance.
RSC Advances,
6
(56):
(51057-51067).
7.
Lili Lu, Xianyang Yue, Fuquan Lin, Feng Huang, Bintian Zhang, Zhang Lin.
(2015)
Template-synthesized ultra-thin molecularly imprinted polymers membrane for the selective preconcentration of dyes.
Journal of Materials Chemistry A,
3
(20):
(10959-10968).
8.
Huanhuan Liu, Xiao Jiang, Rongjian Bian, Min Tong, Dandan Tang, Xiangdong Zhou, Youliang Zhao.
(2015)
Facile synthesis of A2mB2n-type starlike copolymers with two types of V-shaped arms by combination of RAFT, ATRP and ROP processes.
POLYMER,
64
(249).
9.
Xiang-Chen Che, Yu-Zi Jin, Youn-Sik Lee.
(2010)
Preparation of nano-TiO2/polyurethane emulsions via in situ RAFT polymerization.
PROGRESS IN ORGANIC COATINGS,
69
(534).
10.
Lingshan Li, Qian Zhou, Jingyi Zhao, Yuangong Zhang, Zhaolei Jia, Xuan Liu, Hailei Zhang, Xinwu Ba, Libin Bai.
(2024)
Synthesis of block macro-CTAs by HNTs@Cu-catalyzed click reaction: Suitable CTAs for synthesizing multiblock polymers via RAFT polymerization.
EUROPEAN POLYMER JOURNAL,
210
(113005).
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