Basic Description

Synonyms	EN300-20450 \| J-512329 \| FT-0615521 \| (CHLOROMETHYL)ACETYL CHLORIDE \| 3-cloropropionyl chloride \| C3H4Cl2O \| InChI=1/C3H4Cl2O/c4-2-1-3(5)6/h1-2H \| NSC84180 \| NSC-84180 \| .OMEGA.-CHLOROPROPIONYL CHLORIDE \| betachloropropionyl chloride \| beta-Chloropropiony
Specifications & Purity	≥98%
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal
Product Description	It is irritating and can induce tears. React violently with water, ethanol, nucleophilic solvents, etc. Used as an intermediate in organic synthesis. Application： 3-Chloropropionyl chloride for synthesis. CAS No. 625-36-5, EC Number 210-890-4.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Acyl halides
    - Subclass Acyl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Acyl halides
Subclass	Acyl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Acyl chlorides
Alternative Parents	Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
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

IUPAC Name	3-chloropropanoyl chloride
INCHI	InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChIKey	INUNLMUAPJVRME-UHFFFAOYSA-N
Smiles	C(CCl)C(=O)Cl
Isomeric SMILES	C(CCl)C(=O)Cl
WGK Germany	1
UN Number	3390
Molecular Weight	126.97
Beilstein	635814
Reaxy-Rn	635814
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635814&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.

9 results found

Lot Number	Certificate Type	Date	Item
K2412359	Certificate of Analysis	Oct 22, 2024	C433142
K2412360	Certificate of Analysis	Oct 22, 2024	C433142
K2412361	Certificate of Analysis	Oct 22, 2024	C433142
K2412358	Certificate of Analysis	Oct 22, 2024	C433142
C2420136	Certificate of Analysis	Feb 29, 2024	C433142
C2420135	Certificate of Analysis	Feb 29, 2024	C433142
C2420139	Certificate of Analysis	Feb 29, 2024	C433142
C2420138	Certificate of Analysis	Feb 29, 2024	C433142
C2420137	Certificate of Analysis	Feb 29, 2024	C433142

Chemical and Physical Properties

Sensitivity	Light and Moisture sensitive.
Refractive Index	1.456-1.458
Flash Point(°F)	138°F
Flash Point(°C)	59°C
Boil Point(°C)	143-145°C
Melt Point(°C)	-32°C
Molecular Weight	126.970 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	125.964 Da
Monoisotopic Mass	125.964 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	52.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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. Lixia Lin, Huizhi Du. (2018) An anthraquinone compound and its protective effects against homocysteine-induced cytotoxicity and oxidative stress. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 202 (314).
2. Qiulin Yuan, Dan Liu, Yong Deng, Ying Ling, Haoyu Tang. (2014) Facile Synthesis and Solid-State Properties of Liquid-Crystalline Polypeptides Bearing Biphenyl Mesogens and Alkyl Tails. MACROMOLECULAR CHEMISTRY AND PHYSICS, 216 (2): (196-204).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

SKU	Size	Availability	Price
C433142-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
C433142-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
C433142-500g	500g	1	$319.90

3-Chloropropionyl chloride - 98%, high purity , CAS No.625-36-5