Basic Description

Synonyms	ethyl (2RS)-2-chloropropionate \| Ethyl-2-chloropropionate \| UN 2935 \| DTXSID70870595 \| LS-13056 \| NSC 522671 \| EC 208-610-0 \| FT-0641525 \| Ethyl .alpha.-chloropropionate \| LXW30UR82C \| alpha -chloropropionic acid, ethyl ester \| MFCD00000864 \| Propanoic ac
Specifications & Purity	≥97%
Shipped In	Normal

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 acid derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 acid derivatives. These are carboxylic acid derivatives 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

Names and Identifiers

Pubchem Sid	504752008
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752008
IUPAC Name	ethyl 2-chloropropanoate
INCHI	InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChIKey	JEAVBVKAYUCPAQ-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C)Cl
Isomeric SMILES	CCOC(=O)C(C)Cl
WGK Germany	3
UN Number	2935
Packing Group	III
Molecular Weight	136.58
Beilstein	773906
Reaxy-Rn	773906
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773906&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

15 results found

Lot Number	Certificate Type	Date	Item
K2411574	Certificate of Analysis	Jul 27, 2024	E100647
K2412030	Certificate of Analysis	Jul 27, 2024	E100647
L2311119	Certificate of Analysis	Nov 27, 2023	E100647
L2311120	Certificate of Analysis	Nov 27, 2023	E100647
L2311121	Certificate of Analysis	Nov 27, 2023	E100647
K2316044	Certificate of Analysis	Aug 02, 2022	E100647
I2206647	Certificate of Analysis	Aug 02, 2022	E100647
I2206777	Certificate of Analysis	Aug 02, 2022	E100647
D2324129	Certificate of Analysis	Aug 02, 2022	E100647
I2206774	Certificate of Analysis	Aug 02, 2022	E100647
I2206775	Certificate of Analysis	Aug 02, 2022	E100647
I2206776	Certificate of Analysis	Aug 02, 2022	E100647
I1820145	Certificate of Analysis	Jul 09, 2022	E100647
K1412016	Certificate of Analysis	Jul 09, 2022	E100647
H1824047	Certificate of Analysis	Jun 23, 2022	E100647

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Chemical and Physical Properties

Solubility	Insoluble in water, soluble in ethanol and ether.
Refractive Index	1.416-1.418
Flash Point(°F)	107.6 °F
Flash Point(°C)	38℃
Boil Point(°C)	146-149°C
Molecular Weight	136.580 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	136.029 Da
Monoisotopic Mass	136.029 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.500
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

How to Cite Aladdin Scientific Products?

1. Xingyu Pu, Jian Han, Shuangjie Wang, Hui Zhou, Qi Cao, Jiabao Yang, Ziwei He, Xuanhua Li. (2021) Surface modification with ionic liquid for efficient CsPbI2Br perovskite solar cells. Journal of Materiomics, 7 (1039).
2. Tian Tian, Xiaoling Hu, Ping Guan, Shuangjie Wang, Xiaoqi Ding. (2017) Density and thermodynamic performance of energetic ionic liquids based on 1-alkyl/esteryl-4-amino-1,2,4-triazolium. JOURNAL OF MOLECULAR LIQUIDS, 248 (70).
3. Tian Tian, Xiaoling Hu, Ping Guan, Yimei Tang. (2016) Investigation of Surface and Solubility Properties of N-Vinylimidazolium Tetrahalogenidoferrate(III) Magnetic Ionic Liquids Using Density Functional Theory. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 61 (2): (721–730).
4. Jian Guan, Xiaodi Yu, Minghui He, Wenfeng Han, Ying Li, Zongjian Liu, Panpan Zhang, Haodong Tang. (2024) Synthesis of Ultrahigh Molecular Weight Poly (Trifluoroethyl Methacrylate) Initiated by the Combination of Palladium Nanoparticles with Organic Halides. Polymers, 16 (19): (2764).

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SKU	Size	Availability	Price
E100647-25ml	25ml	5	$69.90
E100647-50ml	50ml	4	$106.90
E100647-100ml	100ml	3	$163.90
E100647-250ml	250ml	2	$367.90
E100647-500ml	500ml	3	$661.90

Ethyl 2-chloropropionate - 97%, high purity , CAS No.535-13-7