Skip to the beginning of the images gallery

3-Chloro-2-butanone - 96%, high purity , CAS No.4091-39-8

COA

Grade & Purity:

≥96%

Cas Number: 4091-39-8
Molecular Weight: 106.55
Beilstein Registry Number: 1669
MDL number: MFCD00000865
PubChem CID: 20026
PubChem SID: 488182582

In stock

Item Number

C136316

Grouped product items
SKU	Size	Availability	Price
C136316-25g	25g	3	$18.90
C136316-100g	100g	4	$64.90
C136316-500g	500g	2	$83.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	F0001-1156 \| DTXSID00863319 \| 1-Chloroethyl methyl ketone \| BBL027312 \| AKOS000121549 \| ?3-Chloro-2-butanone \| Q1762235 \| (+/-)-3-Chloro-2-butanone \| EC 223-834-9 \| 3-Chloro-2-butanone, produced by Wacker Chemie AG, Burghausen, Germany, >=96.0% (GC) \| 2-B
Specifications & Purity	≥96%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3-Chloro-2-butanone reacts with 1,4-dianion of acetophenone N-ethoxycarbonylhydrazone to yield pyrazoline derivatives. 3-Chloro-2-butanone was used in production of chiral alcohols from acetophenone derivatives, β-ketoesters and N-Boc-3-pyrrolidinone by recombinant E. coli cells. It was used in the synthesis of carbene precursor, 3-aryl-4,5-dimethylthiazolium chloride.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones
        Level7 Alpha-chloroketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Alpha-haloketones
Direct Parent	Alpha-chloroketones
Alternative Parents	Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O group.
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	488182582
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182582
IUPAC Name	3-chlorobutan-2-one
INCHI	InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey	OIMRLHCSLQUXLL-UHFFFAOYSA-N
Smiles	CC(C(=O)C)Cl
Isomeric SMILES	CC(C(=O)C)Cl
WGK Germany	3
RTECS	EL7062000
UN Number	1224
Packing Group	III
Molecular Weight	106.55
Beilstein	1669
Reaxy-Rn	385637
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385637&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.

11 results found

Lot Number	Certificate Type	Date	Item
B2309153	Certificate of Analysis	Nov 08, 2024	C136316
B2309145	Certificate of Analysis	Nov 08, 2024	C136316
I2227106	Certificate of Analysis	Jul 05, 2024	C136316
I2214128	Certificate of Analysis	Jun 13, 2024	C136316
F2213174	Certificate of Analysis	Mar 20, 2024	C136316
F2213100	Certificate of Analysis	Mar 20, 2024	C136316
F2213104	Certificate of Analysis	Mar 20, 2024	C136316
F2213101	Certificate of Analysis	Mar 20, 2024	C136316
I2107363	Certificate of Analysis	Jun 15, 2023	C136316
I2107358	Certificate of Analysis	Jun 15, 2023	C136316
I2107333	Certificate of Analysis	Jun 15, 2023	C136316

Show more⌵

Chemical and Physical Properties

Sensitivity	air sensitive，heat sensitive
Refractive Index	1.421
Flash Point(°F)	82.4 °F
Flash Point(°C)	23°C
Boil Point(°C)	114-117°C
Melt Point(°C)	<-60℃
Molecular Weight	106.550 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	106.019 Da
Monoisotopic Mass	106.019 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.600
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

Solution Calculators

Molarity Calculator

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

Mass

Concentration

Volume

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)

Volume 1 (V1)

Concentration 2 (C2)

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