Skip to the beginning of the images gallery

2,2-Dimethylbutyryl Chloride - 98%, high purity , CAS No.5856-77-9

COA

Grade & Purity:

≥98%

Cas Number: 5856-77-9
Molecular Weight: 134.6
Beilstein Registry Number: 2336
EC Number: 227-478-5
MDL number: MFCD03093071
PubChem CID: 79958
PubChem SID: 504755426

In stock

Item Number

D128094

Grouped product items
SKU	Size	Availability	Price
D128094-5g	5g	3	$17.90
D128094-10g	10g	2	$27.90
D128094-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$52.90
D128094-50g	50g	2	$94.90
D128094-100g	100g	2	$141.90
D128094-250g	250g	1	$254.90
D128094-500g	500g	2	$458.90

View related series

Acyl halide (157) Carbonyl compound (2335)

Basic Description

Synonyms	BS-22425 \| SCHEMBL388297 \| FT-0609270 \| AMY25715 \| A8288 \| EC 227-478-5 \| EN300-224794 \| D3987 \| XKZ78Q3WJ3 \| MFCD03093071 \| 2,2-Dimethylbutanoyl chloride, AldrichCPR \| 2,2-dimethylbutanoyl chloride \| 2,2-dimethyl butyryl chloride \| AKOS009158285 \| 2,2-Di
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	application： 2-Dimethylbutanoyl chloride is a reagent that is used in the synthesis of 4α,5-Dihydro Simvastatin, the drug, is sold under the trade name Zocor. A competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic.

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
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - 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

Pubchem Sid	504755426
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755426
IUPAC Name	2,2-dimethylbutanoyl chloride
INCHI	InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3
InChIKey	LDJUYMIFFNTKOI-UHFFFAOYSA-N
Smiles	CCC(C)(C)C(=O)Cl
Isomeric SMILES	CCC(C)(C)C(=O)Cl
Molecular Weight	134.6
Beilstein	2336
Reaxy-Rn	1743925
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743925&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.

10 results found

Lot Number	Certificate Type	Date	Item
H2121105	Certificate of Analysis	Jun 12, 2025	D128094
H2121104	Certificate of Analysis	Jun 10, 2025	D128094
H2121106	Certificate of Analysis	Jun 10, 2025	D128094
G2116119	Certificate of Analysis	Apr 02, 2025	D128094
G2116120	Certificate of Analysis	Apr 02, 2025	D128094
G2116121	Certificate of Analysis	Apr 02, 2025	D128094
G2116122	Certificate of Analysis	Apr 02, 2025	D128094
G2116124	Certificate of Analysis	Apr 02, 2025	D128094
G2116139	Certificate of Analysis	Apr 02, 2025	D128094
B2209159	Certificate of Analysis	Feb 16, 2022	D128094

Chemical and Physical Properties

Solubility	Reacts with water. Soluble in chloroform and ethyl acetate.
Sensitivity	Moisture Sensitive
Refractive Index	1.42
Flash Point(°F)	84°F
Flash Point(°C)	29°C(lit.)
Boil Point(°C)	132 °C
Molecular Weight	134.600 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	134.05 Da
Monoisotopic Mass	134.05 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	96.700
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

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