2-Chloropropionic acid (Cas No 598-78-7) ≥95% high purity and research grade

Pubchem Sid	528756989
Sorrisi canonici	CC(C(=O)O)Cl
IUPAC Name	2-chloropropanoic acid
InChIKey	GAWAYYRQGQZKCR-UHFFFAOYSA-N
INCHI	1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
Isomeri SMILES	CC(C(=O)O)Cl
WGK Germania	1
RTECS	UE8575000
Numero UN	2511
Gruppo di imballaggio	III
Peso molecolare	108.52
Beilstein	1720259
Reaxy-Rn	773799
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773799&ln=

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Descrizione	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
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

Struttura 3D

Obiettivi associati (umani)

GSTZ1 Tbio Glutathione S-transferase zeta 1 (4 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Data	Oggetto
J1928155	Certificate of Analysis	Aug 04, 2023	C140796
J1520122	Certificate of Analysis	Jun 08, 2023	C140796

Proprietà chimiche e fisiche

Indice di rifrazione	1.434-1.436
Punto di infiammabilità (°F)	215.6 °F
Punto di infiammabilità (°C)	107℃
Punto di ebollizione (°C)	170-190℃
Punto di fusione (°C)	-14-12℃
Peso molecolare	108.520 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	107.998 Da
Monoisotopic Mass	107.998 Da
Topological Polar Surface Area	37.300 Å²
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

Riferimenti

1. Xue-Dan Hou, Ao-Lin Li, Kai-Peng Lin, Yuan-Yuan Wang, Zhi-Yin Kuang, Shi-Lin Cao. (2017) Insight into the structure-function relationships of deep eutectic solvents during rice straw pretreatment. BIORESOURCE TECHNOLOGY, [PMID:29049985] [10.1016/j.biortech.2017.10.019]
2. Jian Guan, Mengsen Niu, Zhangming Wang, Wujian Zhang, Zongjian Liu, Aiming Chen, Shengjie Xia, Panpan Zhang, Haodong Tang. (2026) Synthesis of ultrahigh molecular weight poly(vinylidene fluoride) via emulsion polymerization initiated by the combination of silver nanoparticles with trichloroacetic acid. POLYMER, [PMID:] [10.1016/j.polymer.2026.129607]

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Recensioni

2-Chloropropionic acid - ≥95% , CAS No.598-78-7