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

CAS: 598-78-7 Cat. No.: C140796 Molecular Weight: 108.52 Beilstein Registry Number: 1720259 EC Number: 209-952-3

GRADE & PURITY ≥95%

Synonyms

FT-0612010 | NCIOpen2_009382 | STR00768 | alpha-Chloropropionic acid | alpha-chloro-propionic acid | 2-CHLOROPROPANOIC ACID | BCP11281 | DTXSID0021545 | UN2511 | HSDB 5713 | EC 209-952-3 | Propionic acid, alpha-chloro- | WLN: QVYG1 | Propionic acid, .alph

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

FT-0612010 | NCIOpen2_009382 | STR00768 | alpha-Chloropropionic acid | alpha-chloro-propionic acid | 2-CHLOROPROPANOIC ACID | BCP11281 | DTXSID0021545 | UN2511 | HSDB 5713 | EC 209-952-3 | Propionic acid, alpha-chloro- | WLN: QVYG1 | Propionic acid, .alph

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC(C(=O)O)Cl
• WGK Germany: 1
• RTECS: UE8575000
• UN Number: 2511
• Packing Group: III
• Molecular Weight: 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
    • 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 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
• 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

Associated Targets(Human)

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

Discover Target: GSTZ1

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.434-1.436
• Flash Point(°F): 215.6 °F
• Flash Point(°C): 107℃
• Boil Point(°C): 170-190℃
• Melt Point(°C): -14-12℃
• Molecular Weight: 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 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

References

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]